(R)-4-Amino-3-(4-methoxyphenyl)butanoic acid

C11H15NO3CAS 740774-41-8209.24 g/mol

Open in Covalent MOL file
OOOHNH2
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C11H15NO3
Molar mass
209.24 g/mol
Exact mass
209.1052 Da
logP
1.21Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
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
740774-41-8
SMILES
COC1=CC=C(C=C1)[C@@H](CC(=O)O)CN
InChIKey
CMEUTESMNAONPQ-VIFPVBQESA-N
InChI
InChI=1S/C11H15NO3/c1-15-10-4-2-8(3-5-10)9(7-12)6-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)/t9-/m0/s1

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Type any one amount. The others follow from the molar mass.

Work with (R)-4-Amino-3-(4-methoxyphenyl)butanoic 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

(R)-4-Amino-3-P-tolylbutanoic acid67112-56-568 % similar (S)-4-Amino-3-P-tolylbutanoic acid67112-57-668 % similar (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-766 % similar (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-866 % similar 3-Amino-3-(4-methoxyphenyl)propanoic acid5678-45-566 % similar Phenibut1078-21-364 % similar (R)-4-Amino-3-phenylbutanoic acid35568-36-664 % similar (S)-4-Amino-3-phenylbutanoic acid62596-63-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-6 Benzyl N-(3-hydroxypropyl)carbamate34637-22-4 (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-3 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 N-Benzyloxycarbonyl-D-alaninol61425-27-2 Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-6

Elsewhere

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