(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one

C6H11NO2 — CID 20735660

IUPAC(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@@H]1NC(=O)[C@@H]1O
InChIInChI=1S/C6H11NO2/c1-3(2)4-5(8)6(9)7-4/h3-5,8H,1-2H3,(H,7,9)/t4-,5+/m0/s1
InChIKeyQARPNAUSFRHRPT-CRCLSJGQSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one

(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one (PubChem CID 20735660) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
PubChem CID20735660
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@@H]1NC(=O)[C@@H]1O
InChIInChI=1S/C6H11NO2/c1-3(2)4-5(8)6(9)7-4/h3-5,8H,1-2H3,(H,7,9)/t4-,5+/m0/s1
InChIKeyQARPNAUSFRHRPT-CRCLSJGQSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-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

3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl-butyl)-amide
CID 44360285
(3R,4R)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
CID 57784953
4-(1,1-Difluoroethyl)-3-hydroxy-azetidin-2-one
CID 68940200
cis-4-(1,1-Difluoroethyl)-3-hydroxy-2-azetidinone
CID 68940202
(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166439550
(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
CID 10012015
(2S)-2-hydroxy-N,4-dimethylpentanamide
CID 10844511
(3R,4S)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11228860
(3S,4R)-4-tert-butyl-3-hydroxyazetidin-2-one
CID 11446396
2-hydroxy-N,4-dimethylpentanamide
CID 13198461
(3S)-3-amino-2-hydroxy-5-methyl-N-(3-methylbutyl)hexanamide
CID 14010040
(3S)-3-amino-N-(2,2-dimethylpropyl)-2-hydroxy-4-methylpentanamide
CID 21971159

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one (CID 20735660) is (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one is CC(C)[C@@H]1NC(=O)[C@@H]1O.
What is the InChIKey of (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one?
The InChIKey is QARPNAUSFRHRPT-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3(2)4-5(8)6(9)7-4/h3-5,8H,1-2H3,(H,7,9)/t4-,5+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one?
(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 20735660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).