(S)-2-Ethylbutyl 2-aminopropanoate hydrochloride

C₉H₂₀ClNO₂CAS 946511-97-3209.71 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₂₀ClNO₂
Molar mass: 209.71 g/mol
Exact mass: 209.1183 Da
logP: 1.73Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5
Stereocentres: Sin 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

946511-97-3

SMILES

CCC(CC)COC(=O)[C@H](C)N.Cl

InChIKey

DEAGOVGXNPHPIJ-FJXQXJEOSA-N

InChI

InChI=1S/C9H19NO2.ClH/c1-4-8(5-2)6-12-9(11)7(3)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-;/m0./s1

Weigh it out

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Work with (S)-2-Ethylbutyl 2-aminopropanoate 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

Similar compounds

(S)-Alanine ethyl ester hydrochloride1115-59-967 % similar DL-α-Alanine ethyl ester hydrochloride617-27-667 % similar H-D-Ala-oet hcl6331-09-567 % similar (±)-Alanine methyl ester hydrochloride13515-97-453 % similar (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-453 % similar Alanine methyl ester hydrochloride2491-20-553 % similar L-Alanine isopropyl ester hydrochloride39825-33-751 % similar L-Alanine isopropyl ester hydrochloride62062-65-151 % similar

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

Same formula

tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-5 tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-6 Butyrylcholine chloride2963-78-2 7-Aminoheptanoic acid ethyl ester hydrochloride29840-65-1 3-(N-Methylpentylamino)propionic acid hydrochloride625120-81-2

Elsewhere

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