Basic information
- Standard SMILES
COC(=O)[C@H](CC1=CC(=O)CC1)NC(=O)OC(C)(C)C- InChIKey
AAZUSOKPEIYCBI-NSHDSACASA-N- Molecular formula
- C14H21NO5
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.14197277
Names & identifiers
- Preferred name
- (S)-Methyl 2-(tert-butoxycarbonylamino)-3-(3-oxocyclopent-1-enyl)propanoate
- IUPAC
- methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxocyclopenten-1-yl)propanoate
Names & synonyms
SCHEMBL6907174AAZUSOKPEIYCBI-NSHDSACASA-N(S)-Methyl 2-(tert-butoxycarbonylamino)-3-(3-oxocyclopent-1-enyl)propanoate
Database identifiers
- PubChem CID
- 69933833
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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