chempirical

L-Prolinamide

C5H10N2OCAS 7531-52-4114.15 g/mol

Open in Covalent MOL file
H2NOHN
Secondary amine

Properties

Molecular formula
C5H10N2O
Molar mass
114.15 g/mol
Exact mass
114.0793 Da
Melting point
93 °C
logP
0.27Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 24 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7531-52-4
SMILES
N=C(O)[C@@H]1CCCN1
InChIKey
VLJNHYLEOZPXFW-BYPYZUCNSA-N
InChI
InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Pyrrolidinecarboxamide, (2S)-
  • Prolinamide, L-
  • 2-Pyrrolidinecarboxamide, (S)-
  • (2S)-2-Pyrrolidinecarboxamide
  • L-Proline amide
  • (-)-Prolinamide
  • (S)-Prolinamide
  • (S)-Pyrrolidine-2-carboxamide
  • (S)-Proline amide
  • (S)-2-(Aminocarbonyl)pyrrolidine
  • (2S)-Pyrrolidine-2-carboxylic acid amide
  • (2S)-2-Carbamoylpyrrolidine
  • (S)-Pyrrolidine-2-carboxylic acid amide
  • (2S)-Pyrrolidine-2-carboxamide

Work with L-Prolinamide

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-Pyrrolidinecarboxamide62937-45-5Enantiomer (S)-Pyrrolidine-2-carboxamide monohydrochloride42429-27-6Salt (2R)-Pyrrolidine-2-carboxamide hydrochloride50894-62-7Salt, enantiomer

Similar compounds

Proline147-85-352 % similar D-Proline344-25-252 % similar DL-Proline609-36-952 % similar 3-Piperidinecarboxamide4138-26-550 % similar (+)-Pipecolic acid1723-00-845 % similar Pipecolic acid3105-95-145 % similar Pipecolic acid4043-87-245 % similar Pipecolic acid535-75-145 % similar

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

Same formula

N-Nitrosopiperidine100-75-4 3-Amino-2-piperidinone1892-22-4 (3S)-3-Aminopiperidin-2-one34294-79-6 1,4-Diazepan-5-one34376-54-0 1-Methyl-3-oxopiperazine34770-60-0 1-Methylpiperazin-2-one59702-07-7 1-Piperazinecarboxaldehyde7755-92-2

Elsewhere

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