chempirical

3-Amino-3-(3-methoxyphenyl)propionic acid

C10H13NO3CAS 68208-19-5195.22 g/mol

Open in Covalent MOL file
ONH2OOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
216 °C (decomposes)
logP
1.17Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
68208-19-5
SMILES
COc1cccc(C(N)CC(=O)O)c1
InChIKey
FGMPGCPZEOXEES-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)

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

Names and synonyms

6 names
  • Benzenepropanoic acid, β-amino-3-methoxy-
  • Hydrocinnamic acid, β-amino-m-methoxy-
  • β-Amino-3-methoxybenzenepropanoic acid
  • β-Amino-m-methoxyhydrocinnamic acid
  • 3-Azaniumyl-3-(3-methoxyphenyl)propanoate
  • 3-Amino-3-(3-methoxyphenyl)propanoic acid

Work with 3-Amino-3-(3-methoxyphenyl)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

β-Amino-3-fluorobenzenepropanoic acid117391-51-263 % similar (R)-3-Amino-3-(3-chlorophenyl)propanoic acid262429-49-263 % similar 3-Amino-3-(3-chlorophenyl)propanoic acid68208-21-963 % similar Dl-beta-(3-bromophenyl)alanine117391-50-161 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-960 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-860 % similar Dl-β-phenylalanine614-19-760 % similar β-Amino-3-nitrobenzenepropanoic acid5678-47-756 % 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 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (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

Elsewhere

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