Alanine, 3-(p-acetylphenyl)-, hydrochloride, L-

C11H14ClNO3CAS 20299-31-4243.69 g/mol

Open in Covalent MOL file
ONH2OHOHCl
Carboxylic acidKetonePrimary amine

Properties

Molecular formula
C11H14ClNO3
Molar mass
243.69 g/mol
Exact mass
243.0662 Da
logP
1.27Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin 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
20299-31-4
SMILES
CC(=O)c1ccc(C[C@H](N)C(=O)O)cc1.Cl
InChIKey
TZRAOLAVYBTWGD-PPHPATTJSA-N
InChI
InChI=1S/C11H13NO3.ClH/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15;/h2-5,10H,6,12H2,1H3,(H,14,15);1H/t10-;/m0./s1

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Work with Alanine, 3-(p-acetylphenyl)-, hydrochloride, L-

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

Tyrosine hydrochloride16870-43-268 % similar 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-566 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-564 % similar 4-Chloro-D-phenylalanine hydrochloride147065-05-264 % similar 4-Methyl-L-phenylalanine1991-87-361 % similar 4-Methyl-D-phenylalanine49759-61-761 % similar D-Tyrosine556-02-560 % similar DL-Tyrosine556-03-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide99873-43-5

Elsewhere

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