(S)-Pyrrolidine-2-carboxamide monohydrochloride

C₅H₁₁ClN₂OCAS 42429-27-6150.61 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₅H₁₁ClN₂O
Molar mass: 150.61 g/mol
Exact mass: 150.0560 Da
Melting point: 182 °C
logP: 0.70Crippen estimate
Polar surface area: 56.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42429-27-6

SMILES

Cl.N=C(O)[C@@H]1CCCN1

InChIKey

CSKSDAVTCKIENY-WCCKRBBISA-N

InChI

InChI=1S/C5H10N2O.ClH/c6-5(8)4-2-1-3-7-4;/h4,7H,1-3H2,(H2,6,8);1H/t4-;/m0./s1

Weigh it out

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

Names and synonyms

7 names

2-Pyrrolidinecarboxamide, hydrochloride (1:1), (2S)-
2-Pyrrolidinecarboxamide, monohydrochloride, (S)-
2-Pyrrolidinecarboxamide, monohydrochloride, (2S)-
L-Prolinamide hydrochloride
Prolinamide hydrochloride
(S)-Pyrrolidine-2-carboxamide hydrochloride
(S)-2-Carbamoylpyrrolidine hydrochloride

Work with (S)-Pyrrolidine-2-carboxamide monohydrochloride

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.

(2R)-2-Pyrrolidinecarboxamide62937-45-5Free base, enantiomer (2R)-Pyrrolidine-2-carboxamide hydrochloride50894-62-7Enantiomer

Similar compounds

(R)-Proline methyl ester hydrochloride65365-28-843 % similar (+)-Pipecolic acid1723-00-841 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-740 % similar (2R)-(-)-2-Methylpyrrolidine hydrochloride135324-85-538 % similar (S)-2-Methylpyrrolidine hydrochloride174500-74-438 % similar (S)-2-Aminobutyramide hydrochloride7682-20-436 % similar (R)-3-Hydroxypiperidine hydrocloride198976-43-135 % similar (S)-3-Hydroxypiperidine hydrochloride475058-41-435 % similar

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

Same formula

1,4-Diazepan-5-one hydrochloride208245-76-5

Elsewhere

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