(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one

C6H11NO2 — CID 14328999

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

About (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one

(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one (PubChem CID 14328999) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one
PubChem CID14328999
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one
SMILESC[C@H]1C(=O)N[C@H]1CCO
InChIInChI=1S/C6H11NO2/c1-4-5(2-3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1
InChIKeyPPSFIRVHKQSOQT-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

4-(2-Hydroxypropyl)azetidin-2-one
CID 55301937
cis-3-Ethyl-4-(2'-hydroxyethyl)-2-azetidinone
CID 11768687
(3s,4s)-3-Ethyl-4-hydroxyethyl-azetidinone
CID 13619049
4-(2-Hydroxyethyl)-2-azetidinone
CID 12769226
(4R)-4-(2-Hydroxyethyl)azetidin-2-one
CID 12769227
3-Isopropyl-4-(2-hydroxyethyl)azetidinone
CID 13051147
(3R,4R)-4-(2-hydroxyethyl)-3-propan-2-ylazetidin-2-one
CID 13051148
3-Ethyl-4-(2-hydroxyethyl)-azetidin-2-one
CID 13619047
(3R,4S)-3-ethyl-4-(2-hydroxyethyl)azetidin-2-one
CID 13619048
4-(2-Hydroxyethyl)-3-methylazetidin-2-one
CID 14328998
4-(1-Hydroxypropan-2-yl)azetidin-2-one
CID 15573267
3-(1-Hydroxyethyl)-4-(2-hydroxyethyl)azetidin-2-one
CID 19993959

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one?
The IUPAC name of (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one (CID 14328999) is (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one is C[C@H]1C(=O)N[C@H]1CCO.
What is the InChIKey of (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one?
The InChIKey is PPSFIRVHKQSOQT-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(2-3-8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)/t4-,5+/m1/s1.
What are the key properties of (3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one?
(3R,4S)-4-(2-hydroxyethyl)-3-methylazetidin-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,4S)-4-(2-hydroxyethyl)-3-methylazetidin-2-one is sourced from PubChem (CID 14328999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).