CAS 68108-18-9|(4S)-4-hydroxypyrrolidin-2-one|(4S)-4-hydroxypyrrolidin-2-one|(S)-4-Hydroxypyrrolidine-2-one|(4S)-(-)-4-Hydroxy-2-oxopyrrolidine|(4S)-(-)-4-Hydroxypyrrolidin-2-one|(4S)-(-)-beta-Hydro...

General Information

Structure

Molecular Formula

C₄H₇NO₂

Molecular Mass

101.10388

Exact Mass

101.04767847

Charge

InChI

InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1

InChIKey

IOGISYQVOGVIEU-VKHMYHEASA-N

Canonic Smiles

O[C@H]1CC(=O)NC1

Isomeric Smiles

N1C(=O)C[C@@H](C1)O

Calculated Properties

JChem

Acid pKa

14.054872

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4986055

LogD (pH = 7.4)

-1.4986055

Log P

-1.4986055

Molar Refractivity

23.4654

Polarizability

9.2818985

Polar Surface Area

49.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(4S)-4-hydroxypyrrolidin-2-one

IUPAC name

(4S)-4-hydroxypyrrolidin-2-one

Synonyms

(S)-4-Hydroxypyrrolidine-2-one(4S)-(-)-4-Hydroxy-2-oxopyrrolidine(4S)-(-)-4-Hydroxypyrrolidin-2-one(4S)-(-)-beta-Hydroxy-gamma-butyrolactam(S)-(-)-4-羟基-2-吡咯烷酮(S)-β-Hydroxy-γ-butyrolactam(S)-(-)-4-Hydroxy-2-pyrrolidinone(S)-β-羟基-γ-丁内酰胺(S)-4-Hydroxy-2-pyrrolidone(S)-(-)-β-Hydroxy-γ-butyrolactam(S)-(-)-β-羟基-γ-丁内酰胺(S)-4-羟基-2-吡咯酮(S)-4-Hydroxy-2-pyrrolidone(S)-(-)-4-Hydroxy-2-pyrrolidinone(4S)-4-Hydroxy-2-pyrrolidinone(S)-4-Hydroxy-2-pyrrolidinone(S)-(-)-4-Hydroxy-2-pyrrolidinone

Names and Identifiers

Registration numbers

CAS Number

68108-18-9

MDL Number

MFCD00273370

PubChem SID

2488701516203463224871604

Beilstein Number

1524192

PubChem CID

155084