Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc(C#N)c(Cl)c1C- InChIKey
CYPKQRMVMFCBQI-PWSUYJOCSA-N- Molecular formula
- C15H16ClN3O4
- Average molar mass
- 337.76 g/mol
Names & identifiers
- Preferred name
- Methyl (2S,4R)-1-{[(3-Chloro-4-cyano-2-methylphenyl)amino]-carbonyl}-4-hydroxypyrrolidine-2-carboxylate
- IUPAC
- methyl (2S,4R)-1-[(3-chloro-4-cyano-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL13199501CYPKQRMVMFCBQI-PWSUYJOCSA-NMethyl (2S,4R)-1-{[(3-Chloro-4-cyano-2-methylphenyl)amino]-carbonyl}-4-hydroxypyrrolidine-2-carboxylate
Database identifiers
- PubChem CID
- 59754306
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Related reactions
4 records
Compound notes
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