Basic information
- CAS
40777-53-5- Standard SMILES
CC(NC(=O)OCc1ccccc1)C(=O)Oc1ccccc1[N+](=O)[O-]- InChIKey
KTBMOJNEQIETCR-UHFFFAOYSA-N- Molecular formula
- C17H16N2O6
- Average molar mass
- 344.32 g/mol
- Monoisotopic mass
- 344.10083623
Names & identifiers
- Preferred name
- 2-Nitrophenyl N-[(benzyloxy)carbonyl]alaninate
- IUPAC
- (2-nitrophenyl) 2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
40777-53-5NSC2982622-Nitrophenyl N-[(benzyloxy)carbonyl]alaninateDTXSID10315935NSC-298262
Database identifiers
- CAS
40777-53-5- PubChem CID
- 326593
- DTXSID
DTXSID10315935
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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