(S)-(-)-3-Acetamidopyrrolidine

C₆H₁₂N₂OCAS 114636-31-6128.17 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₆H₁₂N₂O
Molar mass: 128.17 g/mol
Exact mass: 128.0950 Da
logP: 0.32Crippen estimate
Polar surface area: 44.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage11.4% of notifiers
H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

114636-31-6

SMILES

CC(O)=N[C@H]1CCNC1

InChIKey

HDCCJUCOIKLZNM-LURJTMIESA-N

InChI

InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1

Weigh it out

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

Names and synonyms

8 names

N-(3S)-3-Pyrrolidinylacetamide
Acetamide, N-(3S)-3-pyrrolidinyl-
Acetamide, N-3-pyrrolidinyl-, (S)-
(3S)-(-)-3-Acetamidopyrrolidine
(3S)-3-Acetamidopyrrolidine
(S)-3-Acetamidopyrrolidine
(S)-N-(Pyrrolidin-3-yl)ethanamide
(S)-N-Pyrrolidin-3-ylacetamide

Work with (S)-(-)-3-Acetamidopyrrolidine

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.

(3R)-(+)-3-Acetamidopyrrolidine131900-62-4Enantiomer 3-Acetamidopyrrolidine79286-74-1Stereo not defined

Similar compounds

N-4-Piperidinylacetamide5810-56-078 % similar (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-051 % similar N-(4-Hydroxycyclohexyl)acetamide23363-88-450 % similar 4-Acetamidocyclohexanone27514-08-547 % similar 4-Acetamido-TEMPO14691-89-546 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-038 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-638 % similar Troxipide30751-05-438 % similar

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

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 Pipecolamide19889-77-1 L-2-Aminohexano-6-lactam21568-87-6 3,3-Dimethyl-2-piperazinone22476-74-0

Elsewhere

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