Alanine benzyl ester hydrochloride

C10H14ClNO2CAS 5557-83-5215.68 g/mol

Open in Covalent MOL file
H2NOOHCl
EsterPrimary amine

Properties

Molecular formula
C10H14ClNO2
Molar mass
215.68 g/mol
Exact mass
215.0713 Da
Melting point
140 °C
logP
1.50Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
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
5557-83-5
SMILES
C[C@H](N)C(=O)OCc1ccccc1.Cl
InChIKey
RLMHWGDKMJIEHH-QRPNPIFTSA-N
InChI
InChI=1S/C10H13NO2.ClH/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3;1H/t8-;/m0./s1

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Names and synonyms

10 names
  • L-Alanine, phenylmethyl ester, hydrochloride (1:1)
  • Benzyl L-alaninate hydrochloride
  • Alanine, benzyl ester, hydrochloride, L-
  • L-Alanine, phenylmethyl ester, hydrochloride
  • L-Alanine benzyl ester hydrochloride
  • NSC 523831
  • (S)-Alanine hydrochloride benzyl ester
  • (S)-Benzyl 2-aminopropanoate hydrochloride
  • Benzyl alaninate hydrochloride
  • L-Alanine benzyl ester hydrogen chloride

Work with Alanine benzyl ester hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-Alanine benzyl ester tosylate42854-62-6Salt D-Alanine benzyl ester p-toluenesulfonate41036-32-2Salt, enantiomer

Similar compounds

L-Valine benzyl ester hydrochloride2462-34-270 % similar L-Threonine benzyl ester hydrochloride33645-24-865 % similar D-Threonine benzyl ester hydrochloride75748-36-665 % similar Phenylalanine benzyl ester hydrochloride2462-32-065 % similar Benzyl isobutyrate103-28-662 % similar D-Serine benzyl ester hydrochloride151651-44-462 % similar L-Serine benzyl ester hydrochloride60022-62-062 % similar Dibenzyl L-glutamate hydrochloride4561-10-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-2-Amino-4-phenylbutanoic acid hydrochloride105382-09-0 Methyl (R)-phenylalaninate hydrochloride13033-84-6 (S)-3-Amino-4-phenylbutyric acid hydrochloride138165-77-2 (S)-3-Amino-3-phenyl propionic acid methylester hcl144494-72-4 (3R)-3-Amino-4-phenylbutanoic acid hydrochloride145149-50-4 Ethyl D-phenylglycinate hydrochloride17609-48-2 4-Amino-3-phenylbutyric acid hydrochloride3060-41-1 Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-8

Elsewhere

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