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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

3-Amino-3-(4-methoxyphenyl)propanoic acid5678-45-571 % similar 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-266 % similar 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-366 % similar 3-Amino-3-(3-methylphenyl)propanoic acid68208-17-365 % similar 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

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 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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