chempirical

H-D-Ala-oet hcl

C5H12ClNO2CAS 6331-09-5153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6331-09-5
SMILES
CCOC(=O)[C@@H](C)N.Cl
InChIKey
JCXLZWMDXJFOOI-PGMHMLKASA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1

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Names and synonyms

1 names
  • (R)-Ethyl 2-amino-propionate hydrochloride

Work with H-D-Ala-oet hcl

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.

(S)-Alanine ethyl ester hydrochloride1115-59-9Enantiomer DL-α-Alanine ethyl ester hydrochloride617-27-6Stereo not defined

Similar compounds

Diethyl aminomalonate hydrochloride13433-00-667 % similar (S)-Valine ethyl ester hydrochloride17609-47-164 % similar (±)-Valine ethyl ester hydrochloride23358-42-164 % similar Leucine ethyl ester hydrochloride2743-40-060 % similar Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-658 % similar (±)-Alanine methyl ester hydrochloride13515-97-458 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-458 % similar Alanine methyl ester hydrochloride2491-20-558 % similar

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

Same formula

Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (S)-2-(Aminomethyl)-1,4-dioxane Hydrochloride1523541-96-9

Elsewhere

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