5-[(4-Nitrobenzoyl)amino]pentanoic acid
Basic information
- CAS
4986-87-2- Standard SMILES
O=C(O)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
JYXHOGZHGJXNRA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.09027155
Names & identifiers
- Preferred name
- 5-[(4-Nitrobenzoyl)amino]pentanoic acid
- IUPAC
- 5-[(4-nitrobenzoyl)amino]pentanoic acid
Names & synonyms
4986-87-25-[(4-nitrobenzoyl)amino]pentanoic acidNSC192704DTXSID603075475-(4-Nitrobenzamido)pentanoic acidAKOS011310140NSC-192704
Database identifiers
- CAS
4986-87-2- PubChem CID
- 303579
- DTXSID
DTXSID60307547
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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