Basic information
- Standard SMILES
CC[C@H](CC[N+](=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)OC- InChIKey
UKRHNLNIUGFIDQ-KGLIPLIRSA-N- Molecular formula
- C16H22N2O5
- Average molar mass
- 322.36 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 2-((R)-2-ethyl-4-nitrobutanamido)-3-phenylpropanoate
- IUPAC
- methyl (2S)-2-[[(2R)-2-ethyl-4-nitrobutanoyl]amino]-3-phenylpropanoate
Names & synonyms
SCHEMBL12341092UKRHNLNIUGFIDQ-KGLIPLIRSA-N(S)-Methyl 2-((R)-2-ethyl-4-nitrobutanamido)-3-phenylpropanoate
Database identifiers
- PubChem CID
- 44464033
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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