3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one

C7H13NO3 — CID 19993959

IUPAC3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
SMILESCC(O)C1C(=O)NC1CCO
InChIInChI=1S/C7H13NO3/c1-4(10)6-5(2-3-9)8-7(6)11/h4-6,9-10H,2-3H2,1H3,(H,8,11)
InChIKeyOACJWEFFCBLNKP-UHFFFAOYSA-N
MW159.18 g/mol
LogP-1.14
Rot. Bonds3

About 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one

3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one (PubChem CID 19993959) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
PubChem CID19993959
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
SMILESCC(O)C1C(=O)NC1CCO
InChIInChI=1S/C7H13NO3/c1-4(10)6-5(2-3-9)8-7(6)11/h4-6,9-10H,2-3H2,1H3,(H,8,11)
InChIKeyOACJWEFFCBLNKP-UHFFFAOYSA-N
XLogP-1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-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

Methyl (3-(1-hydroxyethyl)-4-oxo-2-azetidinyl)acetate
CID 495286
methyl 2-[(3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
CID 373020
cis-3-Ethyl-4-(2'-hydroxyethyl)-2-azetidinone
CID 11768687
(3s,4s)-3-Ethyl-4-hydroxyethyl-azetidinone
CID 13619049
(3S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 11000691
4-(2,2-Dimethoxyethyl)-3-(1-hydroxyethyl)azetidin-2-one
CID 12898635
3-Isopropyl-4-(2-hydroxyethyl)azetidinone
CID 13051147
(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one
CID 13051148
methyl 2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetate
CID 13374052
methyl 2-[(2R,3S)-3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
CID 13374054
2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetic acid
CID 13374059
2-[3-(1-Hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
CID 13374060

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one (CID 19993959) is 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one is CC(O)C1C(=O)NC1CCO.
What is the InChIKey of 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
The InChIKey is OACJWEFFCBLNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(10)6-5(2-3-9)8-7(6)11/h4-6,9-10H,2-3H2,1H3,(H,8,11).
What are the key properties of 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one?
3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one has a molecular weight of 159.18 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 19993959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).