(1R,2S)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylic acid
PubChem CID: 5310957
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| Compound Synonyms | CHEMBL285369, cis-, A-(Carboxycyclopropyl)glycine, (1R,2S)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylic acid, (2S,1's,2'r)-2-(carboxycyclopropyl)glycine, L-CCG-III, SCHEMBL22640266, BDBM50004899, AKOS006272532, NCGC00024540-02, PD071279, (2s,3s,4r)-2-(carboxycyclopropyl)glycine, HY-100838, CS-0020491, SR-01000597641, SR-01000597641-1, 2-(Amino-carboxy-methyl)-cyclopropanecarboxylic acid (D-CGA-D), (1R,2S)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylicacid, (1R,2S)-2-((S)-Amino-carboxy-methyl)-cyclopropanecarboxylic acid |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | Q9R1M7, P43004 |
| Iupac Name | (1R,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1519 |
| Xlogp | -3.4 |
| Molecular Formula | C6H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZOVEPYOCJWRFC-NUNKFHFFSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.921 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.184 |
| Compound Name | (1R,2S)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 159.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 159.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 159.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.5385258 |
| 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-/m0/s1 |
| Smiles | C1[C@@H]([C@@H]1C(=O)O)[C@@H](C(=O)O)N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Endiandra Anthropophagorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all