Ethyl pyrrolidine-3-carboxylate hydrochloride

C7H14ClNO2CAS 80028-44-0179.64 g/mol

Open in Covalent MOL file
OONHHCl
EsterSecondary amine

Properties

Molecular formula
C7H14ClNO2
Molar mass
179.64 g/mol
Exact mass
179.0713 Da
logP
0.58Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
80028-44-0
SMILES
CCOC(=O)C1CCNC1.Cl
InChIKey
AYYKCALHTPKNOI-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H

Weigh it out

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

Work with Ethyl 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

Similar compounds

(R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride37675-19-782 % similar Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-881 % similar (-)-Ethyl nipecotate25137-01-374 % similar (+)-Ethyl nipecotate37675-18-674 % similar Ethyl nipecotate5006-62-274 % similar Ethyl nipecotate71962-74-874 % similar Ethyl isonipecotate1126-09-672 % similar Methyl 3-pyrrolidinecarboxylate hcl198959-37-466 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-D-Pro-oet hcl131477-20-8 (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-6 1-Methylpiperidine-3-carboxylic acid hydrochloride19999-64-5 2-Methyl-L-proline methyl ester hydrochloride220060-08-2 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-6 trans-4-Amino-cyclohexane carboxylic acid hydrochloride27960-59-4 Stachydrine chloride4136-37-2 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook