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

C₁₁H₁₄ClNO₃CAS 20299-31-4243.69 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

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

Weigh it out

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

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 L-Phenylalanine, 4-amino-, hydrochloride (1:1)62040-55-566 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-564 % similar 4-Methyl-L-phenylalanine1991-87-361 % similar D-Tyrosine556-02-560 % similar Dl-tyrosine556-03-660 % similar Tyrosine60-18-460 % similar L-4-Benzoylphenylalanine104504-45-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook