Alpha-Aminobutyric Acid
PubChem CID: 6657
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| Compound Synonyms | DL-2-Aminobutyric acid, 2835-81-6, 2-Aminobutyric acid, 2-Aminobutanoic acid, H-DL-ABU-OH, ALPHA-AMINOBUTYRIC ACID, Butyrine, Butanoic acid, 2-amino-, Butanoic acid, amino-, DL-2-Amino-n-butyric acid, 80-60-4, AABA, DL-alpha-Amino-n-butyric acid, Butyric acid, 2-amino-, DL-, alpha-Amino-n-butyric acid, 2-amino-butyric acid, 2-AMINO-N-BUTYRIC ACID, MFCD00008093, CHEBI:35621, NSC3251, 8306QPJ19P, 2-aminobutyric acid, dl, L-.alpha.-Aminobutyrate, NSC 3251, NSC-3251, DL-2-Aminobutanoic acid, Butyric acid, 2-amino-, EINECS 201-296-6, EINECS 220-616-5, Butanoic acid, 2-amino-, (.+-.)-, Homoalanine, L-.alpha.-Aminobutyric acid, DL-.alpha.-Aminobutyric acid, AI3-15284, DL-alpha-Amino-n-butyric acid (beta-form), L-.alpha.-Amino-n-butyric acid, .ALPHA.-AMINOBUTYRIC ACID, DL-.alpha.-Amino-n-butyric acid, DTXSID90862679, l(+)-2-aminobutyric acid, 2-AMINOBUTYRIC ACID, DL-, .ALPHA.-AMINOBUTYRIC ACID [MI], .ALPHA.-AMINOBUTYRIC ACID, DL-, DL-.alpha.-Amino-n-butyric acid (.beta.-form), 28805-76-7, Butyric acid, 2-amino-, L-, DL-A-Amino-n-Butyric Acid, D-a-aminobutyric acid, L-a-aminobutyric acid, l-2-aminobutanoic acid, UNII-8306QPJ19P, NSC-97060, DL2Aminobutyric acid, AMINOBUTYRIC ACID,-2-, ALPHA, DL2Aminonbutyric acid, 2Aminobutyric acid, DL, 2-Amino-n-butyric-acid, d,l-2-aminobutyric acid, dl-alpha-aminobutyric acid, bmse000390, DL-AMINOBUTYRIC ACID, Butyric acid, 2amino, DL, SCHEMBL23958, CHEMBL55242, AMINOBUTYRIC ACID, ALPHA, DL-2- AMINOBUTYRIC ACID, 2-Aminobutanoic acid, (L)- #, DTXCID30811409, ALBB-016221, BCP04716, Butyric acid, 2amino, DL (8CI), NSC97060, ALPHA-AMINOBUTYRIC ACID, DL-, BBL012213, Butanoic acid, 2-amino-, (+-)-, STL163554, AKOS000201117, AKOS016050533, Butyric acid, 2-amino-, DL-(8CI), AB00928, CS-W011306, FA09857, HY-W010590, SB33762, AS-11292, DA-69742, SY001956, SY002291, SY005223, A0280, NS00014651, NS00096417, EN300-21289, DL-2-Aminobutyric acid, ReagentPlus(R), 99%, M01290, Q285687, DL-2-Aminobutyric acid, puriss., >=99.0% (NT), DL-2-Aminobutyric acid, Vetec(TM) reagent grade, 98%, F8889-0487, L(+)-2-Aminobutyric acid, (S)-(+)-2-Aminobutyric acid, Z104495144, 4D86307C-8B58-428C-BB29-5FE70D44669A, 201-296-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Aminoacids |
| Deep Smiles | CCCC=O)O))N |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Dl-aminobutyric acid, also known as butyrine or homoalanine, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Dl-aminobutyric acid is soluble (in water) and a moderately acidic compound (based on its pKa). Dl-aminobutyric acid can be found in peanut, which makes dl-aminobutyric acid a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminobutanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9NO2 |
| Inchi Key | QWCKQJZIFLGMSD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-Amino-N-butyric acid, 2-Aminobutyric acid, AABA, Abu, alpha-Amino-N-butyric acid, Butyrine, Homoalanine, 2-Amino-N-butyrate, 2-Aminobutyrate, a-Amino-N-butyrate, a-Amino-N-butyric acid, alpha-Amino-N-butyrate, Α-amino-N-butyrate, Α-amino-N-butyric acid, DL-Aminobutyrate, alpha-Aminobutyric acid, (+-)-isomer, Butyrine, (S)-isomer, L-Homoalanine, (2S)-2-Aminobutanoic acid, L-2-Aminobutyric acid, alpha-Aminobutyric acid, (R)-isomer, Butyrine, (+-)-isomer, alpha-Aminobutyric acid, Butyrine, (R)-isomer, 2-Aminobutanoic acid, alpha-Aminobutyric acid, (S)-isomer, 2-aminobutyric acid, alpha-aminobutyric acid, aminobutyric acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN |
| Compound Name | Alpha-Aminobutyric Acid |
| Kingdom | Organic compounds |
| Exact Mass | 103.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 103.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 103.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| Smiles | CCC(C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Alpha amino acids |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Antirrhinum Majus (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Celosia Argentea (Plant) Rel Props:Reference:ISBN:9788185042114 - 4. Outgoing r'ship
FOUND_INto/from Euphorbia Prostrata (Plant) Rel Props:Reference:ISBN:9788185042145 - 5. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/11551552 - 6. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:ISBN:9788190115124; The Unani Pharmacopoeia of India Part-1 Volume-4 - 7. Outgoing r'ship
FOUND_INto/from Manilkara Zapota (Plant) Rel Props:Reference:ISBN:9788172361150