(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one

C6H11NO2 — CID 18642577

IUPAC(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one
SMILESCC[C@H]1C(=O)N[C@H]1CO
InChIInChI=1S/C6H11NO2/c1-2-4-5(3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1
InChIKeyOQUFUBGNYKRLBT-UHNVWZDZSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds2

About (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one

(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one (PubChem CID 18642577) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one
PubChem CID18642577
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one
SMILESCC[C@H]1C(=O)N[C@H]1CO
InChIInChI=1S/C6H11NO2/c1-2-4-5(3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1
InChIKeyOQUFUBGNYKRLBT-UHNVWZDZSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

(3S,4S)-4-(hydroxymethyl)-3-methylazetidin-2-one
CID 14510845
(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one
CID 11480506
(4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one
CID 18661328
3-Ethyl-4-(hydroxymethyl)azetidin-2-one
CID 22150115
4-Ethynyl-3-(2-hydroxyethyl)azetidin-2-one
CID 23199498
2-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]butanamide
CID 39243603
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-methylpropanamide
CID 59016093
4-(1-Hydroxyethyl)azetidin-2-one
CID 70498789
N-(1-hydroxy-3-methylpentan-2-yl)-2-methylpropanamide
CID 72490723
4-Ethynyl-3-(1-hydroxypropan-2-yl)azetidin-2-one
CID 88680578
(3R,4R)-4-ethynyl-3-(2-hydroxyethyl)azetidin-2-one
CID 88680751
(3R,4S)-4-ethynyl-3-(2-hydroxyethyl)azetidin-2-one
CID 88681023

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one (CID 18642577) is (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one is CC[C@H]1C(=O)N[C@H]1CO.
What is the InChIKey of (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one?
The InChIKey is OQUFUBGNYKRLBT-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-4-5(3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one?
(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one is sourced from PubChem (CID 18642577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).