4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one

C8H15NO3 — CID 130995183

IUPAC4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
SMILESCCC(CO)N1CC(O)CC1=O
InChIInChI=1S/C8H15NO3/c1-2-6(5-10)9-4-7(11)3-8(9)12/h6-7,10-11H,2-5H2,1H3
InChIKeyOMZFDDZMNYWIGF-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.65
Rot. Bonds3

About 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one

4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one (PubChem CID 130995183) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
PubChem CID130995183
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
SMILESCCC(CO)N1CC(O)CC1=O
InChIInChI=1S/C8H15NO3/c1-2-6(5-10)9-4-7(11)3-8(9)12/h6-7,10-11H,2-5H2,1H3
InChIKeyOMZFDDZMNYWIGF-UHFFFAOYSA-N
XLogP-0.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
CID 168701588
4-amino-1-[(2R)-1-hydroxybutan-2-yl]pyrrolidin-2-one
CID 130617471
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
1-pentan-3-yl-4-sulfanylpyrrolidin-2-one
CID 168708150
1-(1,3-dihydroxypropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709223
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
3-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707686

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one (CID 130995183) is 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one is CCC(CO)N1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
The InChIKey is OMZFDDZMNYWIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-6(5-10)9-4-7(11)3-8(9)12/h6-7,10-11H,2-5H2,1H3.
What are the key properties of 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one?
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 130995183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).