chempirical

(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. Search the SDS library

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

Weigh it out

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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