(+)-Ethyl nipecotate
Properties
- Molecular formula
- C8H15NO2
- Molar mass
- 157.21 g/mol
- Exact mass
- 157.1103 Da
- logP
- 0.55Crippen estimate
- Polar surface area
- 38.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H315 Causes skin irritation10.9% of notifiers
- H318 Causes serious eye damage95.7% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364
Identifiers
CAS number
37675-18-6SMILES
CCOC(=O)[C@H]1CCCNC1InChIKey
XIWBSOUNZWSFKU-ZETCQYMHSA-NInChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 3-Piperidinecarboxylic acid, ethyl ester, (3S)-
- 3-Piperidinecarboxylic acid, ethyl ester, (S)-
- (S)-Ethyl nipecotate
- Ethyl (S)-3-piperidinecarboxylate
- (S)-(+)-Ethyl nipecotate
- Ethyl (3S)-piperidine-3-carboxylate
- Ethyl (3S)-3-piperidinecarboxylate
- (S)-(+)-Nipecotic acid ethyl ester
- 3-Piperidinecarboxylic acid ethyl ester (3S)-
Work with (+)-Ethyl nipecotate
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.
Similar compounds
Ethyl pyrrolidine-3-carboxylate hydrochloride80028-44-074 % similar
Methyl (3R)-3-piperidinecarboxylate164323-85-765 % similar
Methyl piperidine-3-carboxylate50585-89-265 % similar
Ethyl cyclobutanecarboxylate14924-53-965 % similar
Ethyl cyclohexanecarboxylate3289-28-963 % similar
(S)-3-Methyl piperidine carboxylate hydrochloride164323-84-659 % similar
Piperidine-4-carboxylic acid ethyl ester hydrochloride147636-76-858 % similar
Ethyl cyclopropanecarboxylate4606-07-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.