(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropane-1-carboxylic acid
PubChem CID: 5310958
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| Compound Synonyms | L-CCG-IV, 117857-95-1, (2S,3R,4S)-CCG, 117857-96-2, (1S,2R)-2-[(S)-AMINO(CARBOXY)METHYL]CYCLOPROPANE-1-CARBOXYLIC ACID, CHEMBL282842, (2s,3r,4s)-alpha-(carboxycyclopropyl)glycine, L-CCG III, (1S,2R)-2-((S)-amino(carboxy)methyl)cyclopropane-1-carboxylic acid, (2S,1's,2'r)-2-(carboxycyclopropyl)glycine, Tocris-0332, Tocris-0333, (2S,3R,4S)-, A-(Carboxycyclopropyl)glycine, SCHEMBL9078498, DTXSID00415498, BDBM50220152, AT45629, NCGC00024540-01, NCGC00024541-01, BL168614, DA-54822, 2S,3R,4S)-alpha-(Carboxycyclopropyl)glycine, (2S,3R,4S)-alpha-(Carboxycyclopropyl)glycine, solid, 2-(Amino-carboxy-methyl)-cyclopropanecarboxylic acid (D-CGA-C), (1S,2R)-2-((S)-amino(carboxy)methyl)cyclopropanecarboxylic acid, (1S,2R)-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 | Q63273, P19490, Q9R1M7, Q03164, B2RXH2, Q9F4F7, P08482, Q62645, Q00961, Q00960, Q00959 |
| Iupac Name | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT48 |
| Xlogp | -3.4 |
| Molecular Formula | C6H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZOVEPYOCJWRFC-UZBSEBFBSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -0.921 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.184 |
| Compound Name | (1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropane-1-carboxylic 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 | 1.5385258000000002 |
| 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 |
| 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