D-Alanylglycine
CNP0524494.1 · C5H10N2O3 · View on COCONUT ↗
Identifiers
| Name | D-Alanylglycine |
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| IUPAC Name | 2-[[(2~{R})-2-aminopropanoyl]amino]acetic acid |
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| COCONUT ID | CNP0524494.1 |
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| CAS | 3997-90-8 |
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| InChIKey | CXISPYVYMQWFLE-GSVOUGTGSA-N |
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| InChI | InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1 |
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| SMILES | C[C@@H](N)C(=O)NCC(=O)O |
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Properties
| Molecular Formula | C5H10N2O3 |
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| Molecular Weight | 146.15 |
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| Exact Mass | 146.06914 |
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| Log P (ALogP) | -1.47 |
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| TPSA | 92.42 |
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| H-Bond Donors / Acceptors | 3 / 3 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.45 |
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| NP-likeness | -0.19 |
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Classification
| NP Pathway | Amino acids and Peptides |
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| NP Superclass | Small peptides |
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| NP Class | Dipeptides |
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| Chemical Superclass | Organic acids and derivatives |
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| Chemical Class | Carboxylic acids and derivatives |
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| Chemical Subclass | Amino acids, peptides, and analogues |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
