Basic information
- CAS
63216-42-2- Standard SMILES
O=C(O)CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
FTSYROLPLVUALL-UHFFFAOYSA-N- Molecular formula
- C12H14N2O6
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.08518617
Names & identifiers
- Preferred name
- 4-(p-Nitrobenzyloxycarbonyl)aminobutyric acid
- IUPAC
- 4-[(4-nitrophenyl)methoxycarbonylamino]butanoic acid
Names & synonyms
4-(p-nitrobenzyloxycarbonyl)aminobutyric acid63216-42-2SCHEMBL6942547DTXSID20389243FTSYROLPLVUALL-UHFFFAOYSA-NAKOS0006077514-p-nitrobenzyloxycarbonylaminobutyric acidSR-01000312071SR-01000312071-14-({[(4-NITROPHENYL)METHOXY]CARBONYL}AMINO)BUTANOIC ACID
Database identifiers
- CAS
63216-42-2- PubChem CID
- 3102541
- DTXSID
DTXSID20389243
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
10 records
Compound notes
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