3-Amino-3-(4-nitrophenyl)propanoic Acid
Properties
- Molecular formula
- C9H10N2O4
- Molar mass
- 210.19 g/mol
- Exact mass
- 210.0641 Da
- logP
- 1.07Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
102308-62-3SMILES
C1=CC(=CC=C1C(CC(=O)O)N)[N+](=O)[O-]InChIKey
JVQPVKJZKRICRR-UHFFFAOYSA-NInChI
InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(4-Nitrophenyl)-beta-alanine
Work with 3-Amino-3-(4-nitrophenyl)propanoic Acid
Similar compounds
(s)-3-Amino-3-(3-nitrophenyl)propionic acid734529-57-871 % similar
(βS)-β-Amino-4-nitrobenzenebutanoic acid270062-87-867 % similar
β-Amino-2-nitrobenzenepropanoic acid5678-48-861 % similar
(+)-3-Amino-3-phenylpropanoic acid13921-90-961 % similar
(-)-3-Amino-3-phenylpropanoic acid40856-44-861 % similar
DL-β-Phenylalanine614-19-761 % similar
(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-360 % similar
(βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.