(S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid

C₁₀H₁₃NO₃CAS 131690-56-7195.22 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₃
Molar mass: 195.22 g/mol
Exact mass: 195.0895 Da
logP: 1.17Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

131690-56-7

SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)O)N

InChIKey

NYTANCDDCQVQHG-VIFPVBQESA-N

InChI

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/s1

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Names and synonyms

1 names

(S)-3-Amino-3-(4-methoxyphenyl)propanoic acid

Work with (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-571 % 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 (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-362 % similar (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-462 % similar (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-362 % similar (3R)-3-Amino-3-phenylpropanoic acid hydrochloride83649-48-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 O-Methyl-D-tyrosine39878-65-4 O-Benzyl-L-serine4726-96-9 O-(Phenylmethyl)serine5445-44-3

Elsewhere

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