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

C10H13NO3CAS 131690-57-8195.22 g/mol

Open in Covalent MOL file
OOOHNH2
Carboxylic acidEtherPrimary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
131690-57-8
SMILES
COC1=CC=C(C=C1)[C@@H](CC(=O)O)N
InChIKey
NYTANCDDCQVQHG-SECBINFHSA-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-/m1/s1

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Names and synonyms

1 names
  • (3R)-3-Amino-3-(4-methoxyphenyl)propanoic acid

Work with (R)-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

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.

(S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7Enantiomer 3-Amino-3-(4-methoxyphenyl)propanoic acid5678-45-5Stereo not defined

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.

All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-4

Elsewhere

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