(3S,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](O)C1- InChIKey
LMPKNPKLQBEPBD-IUCAKERBSA-N- Molecular formula
- C14H19ClN2O4S
- Average molar mass
- 346.8 g/mol
Names & identifiers
- Preferred name
- (3S,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-hydroxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL3448718LMPKNPKLQBEPBD-IUCAKERBSA-N(3S,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 42643219
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
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Related reactions
3 records
Compound notes
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