Basic information
- Standard SMILES
CCOC(=O)CC(N)c1cccc([N+](=O)[O-])c1- InChIKey
VDXTZDRXJICHPV-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- Ethyl 3-amino-3-(3-nitrophenyl)propanoate
- IUPAC
- ethyl 3-amino-3-(3-nitrophenyl)propanoate
Names & synonyms
Ethyl 3-amino-3-(3-nitrophenyl)propanoate443863-14-7Ethyl 3-amino-3-(3-nitrophenyl)propionate hydrochlorideOprea1_699619SCHEMBL8242114CHEMBL1619451VDXTZDRXJICHPV-UHFFFAOYSA-NSBB001880STK130500AKOS001727648AKOS016050872ST4069717
Show more names
Ethyl 3-amino-3-(3-nitrophenyl)propanoate #3-Amino-3-(3-nitro-phenyl)-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 592195
- ChEMBL
CHEMBL1619451
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
6 records
Compound notes
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