3-Aminoisobutyric Acid
PubChem CID: 64956
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| Compound Synonyms | dl-3-Aminoisobutyric acid, 3-amino-2-methylpropanoic acid, 144-90-1, 3-Aminoisobutyric acid, 10569-72-9, Propanoic acid, 3-amino-2-methyl-, beta-Aminoisobutyric acid, alpha-Methyl-beta-alanine, dl-beta-Aminoisobutyric acid, 3-Aminoisobutanoate, 2-Methyl-beta-alanine, dl-3-Amino-2-methylpropionic acid, 2-(Aminomethyl)propionic acid, DL-3-Aminoisobutyricacid, BAIBA, 3-Aminoisobutanoic acid, 3-amino-isobutanoic acid, 3-Amino-2-methylpropanoate, DL-2-Methyl-beta-alanine, EINECS 205-644-8, T68ALE2O9F, MFCD00008145, BAIB, dl-.beta.-Aminoisobutyric acid, 3-Amino-2-methylpropionic acid, b-Aminoisobutyric acid, CHEBI:27389, (+/-)-beta-Aminoisobutyric acid, EINECS 234-154-7, (1)-3-Amino-2-methylpropionic acid, Isobutanoic acid, 3-amino-, DL-3-Aminoisobutyric acid hydrate, (+/-)-3-Aminoisobutyric acid, 3-amino-3-methyl-propionic acid, DTXSID10861821, DL-2-METHYL-.BETA.-ALANINE, (+/-)-3-amino-2-methylpropionic acid, (+/-)-3-Amino-2-methylpropanoic acid, (+/-)-.BETA.-AMINOISOBUTYRIC ACID, 3-Amino-isobutanoate, , A-Methyl-, A-alanine, UNII-T68ALE2O9F, aminoisobutanoate, MFCD01076229, MFCD07372875, a-Methyl-b-alanine, 2-Methyl-b-alanine, betaaminoisobutyric acid, DL-2-Methyl-b-alanine, ??-Methyl-??-alanine, beta-amino-isobutyric acid, bmse000828, .beta.-Aminoisobutyric acid, SCHEMBL2191, 2(Aminomethyl)propionic acid, 3-amino-2-methylpropanoicacid, (+/-)-b-Aminoisobutyric acid, 2-Methyl-3-aminopropionic acid, DL-3-AminoisobutyricAcidHydrate, Propionic acid, 2(aminomethyl), CHEMBL3544550, (+/)3Amino2methylpropionic acid, DTXCID10810692, DL-3-Aminoisobutyric acid, 98%, DL3Aminoisobutyric acid monohydrate, ALBB-026586, DL-3-Amino-2-methylpropanoic acid, 3-amino-2(r,s)methylpropionic acid, (+/-)-3-Amino-2-methylpropanoate, LMFA01100054, s6134, 3-amino-2(R,S)-methylpropionic acid, AKOS003404809, AKOS016843206, BAIBA, 3-Amino-2-methylpropanoic acid, AB00933, AB08204, AB35706, CS-W013690, FA37458, HY-W012974, (+/-)-2-Methyl-3-aminopropanoic acid, 3-AMINO-2-METHYL-PROPIONIC ACID, BS-12724, PROPANOIC ACID,3-AMINO-2-METHYL-, SY009267, SY020274, SY245999, A0324, NS00014831, EN300-64468, C05145, Q2823212, DL-beta-Aminoisobutyric acid, puriss., >=99.0% (NT), Z431542704, E94C87B1-0A40-4734-863C-16C484E7EE63, 205-644-8 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 7.0 |
| Pathway Kegg Map Id | map00240 |
| Description | beta-aminoisobutyric acid is the product from the conversion of N-carbamyl-beta-aminoisobutyric acid by the enzyme Beta-ureidopropionase (EC 3.5.1.6), the last step in pyrimidine degradation. Beta-ureidopropionase deficiency is an inborn error of pyrimidine degradation associated with neurological abnormalities (OMIM 606673) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9UBR1 |
| Iupac Name | 3-amino-2-methylpropanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -2.9 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H9NO2 |
| Inchi Key | QCHPKSFMDHPSNR-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | (+/-)-3-Amino-2-methylpropanoate, (+/-)-3-Amino-2-methylpropanoic acid, (+/-)-3-Aminoisobutyric acid, (+/-)-b-Aminoisobutyric acid, (+/-)-beta-Aminoisobutyric acid, 2-(Aminomethyl)propionate, 2-(Aminomethyl)propionic acid, 2-Methyl-b-alanine, 2-Methyl-beta-alanine, 2-Methyl-β-alanine, 3-amino-2-Methylpropanoate, 3-amino-2-Methylpropanoic acid, 3-amino-Isobutanoate, 3-amino-Isobutanoic acid, 3-Aminoisobutanoate, 3-Aminoisobutanoic acid, 3-Aminoisobutyrate, 3-Aminoisobutyric acid, a-Methyl-b-alanine, alpha-Methyl-beta-alanine, b-Aminoisobutyrate, b-Aminoisobutyric acid, BAIB, beta-Aminoisobutyrate, beta-Aminoisobutyric acid, DL-2-Methyl-b-alanine, DL-2-Methyl-beta-alanine, DL-3-Amino-2-methylpropionic acid, DL-3-Aminoisobutyric acid, DL-b-Aminoisobutyrate, DL-b-Aminoisobutyric acid, DL-beta-Aminoisobutyrate, DL-beta-Aminoisobutyric acid, DL-β-aminoisobutyrate, DL-β-aminoisobutyric acid, α-methyl-β-alanine, β-aminoisobutyrate, β-aminoisobutyric acid, 3-Amino-2-methylpropanoate, 3-Amino-2-methylpropanoic acid, Α-methyl-β-alanine, Β-aminoisobutyrate, Β-aminoisobutyric acid, DL-Β-aminoisobutyrate, DL-Β-aminoisobutyric acid, (+/-)-3-amino-2-methylpropanoate, (+/-)-3-amino-2-methylpropanoic acid, (+/-)-3-aminoisobutyric acid, (+/-)-b-aminoisobutyric acid, (+/-)-beta-aminoisobutyric acid, 3-Amino-isobutanoate, 3-Amino-isobutanoic acid, 3-Aminoisobutyric acid, (+-)-isomer, DL-3-Aminoisobutyric acid monohydrate, 3-Aminoisobutyric acid, (S)-isomer, 3-Aminoisobutyric acid, tritium-labeled, 3-Aminoisobutyric acid, (R)-isomer |
| Substituent Name | Beta amino acid or derivatives, Monocarboxylic acid or derivatives, Carboxylic acid, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Carbonyl group, Amine, Aliphatic acyclic compound |
| Compound Name | 3-Aminoisobutyric Acid |
| Kingdom | Organic compounds |
| Exact Mass | 103.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 103.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 103.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7) |
| Smiles | CC(CN)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Beta amino acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Agaricus Campestris (Plant) Rel Props:Source_db:npass_chem_all