(R)-(+)-4-Hydroxy-2-pyrrolidinone

C4H7NO2CAS 22677-21-0101.10 g/mol

Open in Covalent MOL file
NHOHO
AlcoholAmideLactam

Properties

Molecular formula
C4H7NO2
Molar mass
101.10 g/mol
Exact mass
101.0477 Da
logP
-1.13Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
22677-21-0
SMILES
C1[C@H](CNC1=O)O
InChIKey
IOGISYQVOGVIEU-GSVOUGTGSA-N
InChI
InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.90 (br t, J = 5.0 Hz, 1H), 4.62 (quint, J = 7.0 Hz, 1H), 3.76 (dd, J = 7.0, 5.0 Hz, 2H), 2.66 (d, J = 7.0 Hz, 2H), 2.00 (br s, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 177.6, 61.8, 50.5, 38.2.
[M + H]+
[M + H]+ Calcd for C4H8NO2 102.0550
[M + Na]+
[M + Na]+ Calcd for C4H7NNaO2 124.0369
[M − H]−
[M − H]− Calcd for C4H6NO2 100.0404
Elemental analysis
Anal. Calcd for C4H7NO2: C, 47.52; H, 6.98; N, 13.85.

Weigh it out

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

Work with (R)-(+)-4-Hydroxy-2-pyrrolidinone

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.

(S)-4-Hydroxy-2-pyrrolidinone68108-18-9Enantiomer 4-Hydroxy-2-pyrrolidinone25747-41-5Stereo not defined

Similar compounds

4-(2-Methylpropyl)pyrrolidin-2-one61312-87-642 % similar 4-Phenyl-2-pyrrolidinone1198-97-639 % similar 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester35309-35-439 % similar Isovalerylglycine16284-60-935 % similar cis-4-Hydroxy-D-proline2584-71-634 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid3398-22-934 % similar Hydroxyproline51-35-434 % similar cis-4-Hydroxy-L-proline618-27-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Morpholinone109-11-5 3-Hydroxy-2-pyrrolidinone15166-68-4 3-Methyl-2-oxazolidinone19836-78-3 Azetidine-2-carboxylic acid2133-34-8 1-Aminocyclopropane-1-carboxylic acid22059-21-8 (±)-2-Azetidinecarboxylic acid2517-04-6 3-Azetidinecarboxylic acid36476-78-5

Elsewhere

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