(4-Nitrophenyl) 4-methyl-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]pentanoate
Basic information
- CAS
64325-17-3- Standard SMILES
C=C(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
OKIVPAYUGDABDS-UHFFFAOYSA-N- Molecular formula
- C18H23N3O6
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.15868546
Names & identifiers
- Preferred name
- (4-Nitrophenyl) 4-methyl-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]pentanoate
- IUPAC
- (4-nitrophenyl) 4-methyl-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]pentanoate
Names & synonyms
64325-17-3NSC301501(4-nitrophenyl) 4-methyl-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]pentanoateDTXSID70316281NSC-3015014-Nitrophenyl N-(2-methylprop-2-enoyl)glycylleucinate
Database identifiers
- CAS
64325-17-3- PubChem CID
- 327256
- DTXSID
DTXSID70316281
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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