chempirical

(R)-Methyl pyrrolidine-3-carboxylate hydrochloride

C6H12ClNO2CAS 874964-22-4165.62 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
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
874964-22-4
SMILES
COC(=O)[C@@H]1CCNC1.Cl
InChIKey
VVBSXSVVMNGQIN-NUBCRITNSA-N
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H/t5-;/m1./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Methyl (3R)-pyrrolidine-3-carboxylate hydrochloride

Work with (R)-Methyl pyrrolidine-3-carboxylate 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.

Methyl 3-pyrrolidinecarboxylate hcl198959-37-4Stereo not defined

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 Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-066 % similar Methyl 4-oxo-3-piperidinecarboxylate hydrochloride71486-53-855 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook