D-alanyl-D-alanine
PubChem CID: 5460362
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| Compound Synonyms | D-alanyl-D-alanine, 923-16-0, D-ALA-D-ALA, (R)-2-((R)-2-Aminopropanamido)propanoic acid, D-Alanine, D-alanyl-, H-D-Ala-D-Ala-OH, Dialanine, D,D-, 1BVK9QMW8G, CHEBI:16576, (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoic acid, UNII-1BVK9QMW8G, (D-Ala)2, CHEMBL299420, (2R)-2-[(2R)-2-aminopropanamido]propanoic acid, 2-[(2-ammoniopropanoyl)amino]propanoate, MFCD00066038, Epitope ID:141113, SCHEMBL476353, DEFJQIDDEAULHB-QWWZWVQMSA-N, DTXSID601016947, BDBM50022571, AKOS016843636, AT31735, CS-W016166, HY-W015450, AS-57348, C00993, EN300-176520, Q27101980, Z829938994 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 92.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Dipeptides |
| Deep Smiles | C[C@H]C=O)O))NC=O)[C@H]N)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -3.3 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12N2O3 |
| Inchi Key | DEFJQIDDEAULHB-QWWZWVQMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | (D-Ala)2, D-Ala-D-ala, H-D-Ala-D-ala-OH, Alanyl-D-alanine, Ala-ala, H-Ala-ala-OH, Alanylalanine, Alanylalanine, (D)-isomer, Alanylalanine, (D-ala)-(L-ala)-isomer, Alanylalanine, (L)-isomer, Alanylalanine, (L-ala)-(D-ala)-isomer, Alanylalanine, (L-ala)-(DL-ala)-isomer, Dialanine, D-Alanyl-L-alanine, L-Alanyl-D-alanine, Di-L-alanine, D-Alanylalanine, L-Alanyl-L-alanine, N-D-Alanyl-L-alanine, N-L-Alanyl-D-alanine, d-alanyl-d-alanine |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CNC(C)=O |
| Compound Name | D-alanyl-D-alanine |
| Kingdom | Organic compounds |
| Exact Mass | 160.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.085 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 160.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1 |
| Smiles | C[C@H](C(=O)N[C@H](C)C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Dipeptides |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Setaria Italica (Plant) Rel Props:Reference:ISBN:9788172362140