(s)-3-Amino-3-(3-nitrophenyl)propionic 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
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
734529-57-8SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])[C@H](CC(=O)O)NInChIKey
SJBFILRQMRECCK-QMMMGPOBSA-NInChI
InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
Work with (s)-3-Amino-3-(3-nitrophenyl)propionic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
β-Amino-3-fluorobenzenepropanoic acid117391-51-261 % similar
(R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-261 % similar
3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-961 % similar
Dl-beta-(3-bromophenyl)alanine117391-50-160 % similar
(S)-3-Amino-3-(3-bromo-phenyl)-propionic acid275826-35-260 % similar
3-Amino-3-(3-methylphenyl)propanoic acid68208-17-360 % similar
β-Amino-2-nitrobenzenepropanoic acid5678-48-860 % similar
(+)-3-Amino-3-phenylpropanoic acid13921-90-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.