(S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid
Properties
- Molecular formula
- C10H13NO3
- Molar mass
- 195.22 g/mol
- Exact mass
- 195.0895 Da
- logP
- 1.17Crippen estimate
- Polar surface area
- 72.5 Ų
- H-bond donors / acceptors
- 2 / 3
- 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 the 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
131690-56-7SMILES
COC1=CC=C(C=C1)[C@H](CC(=O)O)NInChIKey
NYTANCDDCQVQHG-VIFPVBQESA-NInChI
InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-3-Amino-3-(4-methoxyphenyl)propanoic acid
Work with (S)-3-Amino-3-(4-methoxy-phenyl)-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
3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-571 % similar
3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-268 % similar
3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-368 % similar
(R)-4-Amino-3-(4-methoxyphenyl)butanoic acid740774-41-866 % similar
3-Amino-3-(4-methylphenyl)propanoic acid68208-18-466 % similar
β-Amino-4-ethylbenzenepropanoic acid117391-52-363 % similar
(+)-3-Amino-3-phenylpropanoic acid13921-90-962 % similar
(-)-3-Amino-3-phenylpropanoic acid40856-44-862 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.