chempirical

Ethyl 3-amino-2,2-dimethylpropanoate hydrochloride

C7H16ClNO2CAS 80253-38-9181.66 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C7H16ClNO2
Molar mass
181.66 g/mol
Exact mass
181.0870 Da
Melting point
101 °C
logP
0.96Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
80253-38-9
SMILES
CCOC(=O)C(C)(C)CN.Cl
InChIKey
HAWROYHPFXYIGS-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2.ClH/c1-4-10-6(9)7(2,3)5-8;/h4-5,8H2,1-3H3;1H

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Names and synonyms

2 names
  • Propanoic acid, 3-amino-2,2-dimethyl-, ethyl ester, hydrochloride (1:1)
  • Propanoic acid, 3-amino-2,2-dimethyl-, ethyl ester, hydrochloride

Work with Ethyl 3-amino-2,2-dimethylpropanoate 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

Ethyl α-aminoisobutyrate hydrochloride17288-15-259 % similar Ethyl pivalate3938-95-250 % similar Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-148 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-447 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-946 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-346 % similar Ethyl 2-bromoisobutyrate600-00-046 % similar Glycine ethyl ester hydrochloride623-33-646 % similar

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

Same formula

L-Alanine tert-butyl ester hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 (±)-Valine ethyl ester hydrochloride23358-42-1 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 D-Alanine tert-butyl ester hydrochloride59531-86-1 Acetylcholine chloride60-31-1 (3-Carboxypropyl)trimethylammonium chloride6249-56-5

Elsewhere

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