Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](O)C1- InChIKey
PIPHECFLLFLPEE-CSMHCCOUSA-N- Molecular formula
- C12H14ClNO4S
- Average molar mass
- 303.76 g/mol
- Monoisotopic mass
- 303.0332068
Names & identifiers
- Preferred name
- (1R,3S,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-hydroxy-cyclopentanecarboxylic acid methyl ester
- IUPAC
- methyl (1R,3S,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxycyclopentane-1-carboxylate
Names & synonyms
SCHEMBL3553304PIPHECFLLFLPEE-CSMHCCOUSA-N(1R,3S,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-hydroxy-cyclopentane-carboxylic acid methyl ester(1R,3S,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-hydroxy-cyclopentanecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58826431
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
9 records
Compound notes
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