chempirical

Methyl 3-pyrrolidinecarboxylate hcl

C6H12ClNO2CAS 198959-37-4165.62 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C6H12ClNO2
Molar mass
165.62 g/mol
Exact mass
165.0557 Da
logP
0.19Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
198959-37-4
SMILES
COC(=O)C1CCNC1.Cl
InChIKey
VVBSXSVVMNGQIN-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H

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Names and synonyms

1 names
  • Methyl pyrrolidine-3-carboxylate hydrochloride

Work with Methyl 3-pyrrolidinecarboxylate 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

Similar compounds

(S)-3-Methyl piperidine carboxylate hydrochloride164323-84-681 % similar Methyl isonipecotate hydrochloride7462-86-480 % similar Methyl azetidine-3-carboxylate hydrochloride100202-39-973 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-772 % similar Methyl piperidine-3-carboxylate50585-89-272 % similar Methyl isonipecotate2971-79-170 % similar Methyl 4-oxo-3-piperidinecarboxylate hydrochloride71486-53-855 % similar (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride37675-19-754 % similar

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

Same formula

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6 cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-2 (S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)1508261-86-6 Methyl prolinate hydrochloride2133-40-6 2-Aminoethyl methacrylate hydrochloride2420-94-2 4-Piperidinecarboxylic acid, hydrochloride (1:1)5984-56-5 (R)-Proline methyl ester hydrochloride65365-28-8 (E)-4-(Dimethylamino)-2-butenoic acid hydrochloride848133-35-7

Elsewhere

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