L-CCG-IV
CNP0302329.2 · C6H9NO4 · View on COCONUT ↗
Identifiers
| Name | L-CCG-IV |
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| IUPAC Name | cis-(1~{S},2~{R})-2-[(~{S})-amino(carboxy)methyl]cyclopropanecarboxylic acid |
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| COCONUT ID | CNP0302329.2 |
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| CAS | 117857-95-1, 117857-96-2 |
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| InChIKey | GZOVEPYOCJWRFC-UZBSEBFBSA-N |
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| InChI | InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3+,4+/m1/s1 |
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| SMILES | N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O |
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Properties
| Molecular Formula | C6H9NO4 |
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| Molecular Weight | 159.14 |
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| Exact Mass | 159.05316 |
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| Log P (ALogP) | -0.88 |
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| TPSA | 100.62 |
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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 | 0.50 |
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| NP-likeness | 1.19 |
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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 | Aminoacids |
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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.
