(3S)-3-(2-hydroxyethyl)azetidin-2-one

C5H9NO2 — CID 22842187

IUPAC(3S)-3-(2-hydroxyethyl)azetidin-2-one
SMILESO=C1NC[C@@H]1CCO
InChIInChI=1S/C5H9NO2/c7-2-1-4-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
InChIKeyNLRCQIJZKHHOGP-BYPYZUCNSA-N
MW115.13 g/mol
LogP-0.89
Rot. Bonds2

About (3S)-3-(2-hydroxyethyl)azetidin-2-one

(3S)-3-(2-hydroxyethyl)azetidin-2-one (PubChem CID 22842187) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)azetidin-2-one
PubChem CID22842187
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3S)-3-(2-hydroxyethyl)azetidin-2-one
SMILESO=C1NC[C@@H]1CCO
InChIInChI=1S/C5H9NO2/c7-2-1-4-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
InChIKeyNLRCQIJZKHHOGP-BYPYZUCNSA-N
XLogP-0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)azetidin-2-one?
The IUPAC name of (3S)-3-(2-hydroxyethyl)azetidin-2-one (CID 22842187) is (3S)-3-(2-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)azetidin-2-one?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)azetidin-2-one is O=C1NC[C@@H]1CCO.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)azetidin-2-one?
The InChIKey is NLRCQIJZKHHOGP-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2/c7-2-1-4-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)azetidin-2-one?
(3S)-3-(2-hydroxyethyl)azetidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 22842187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).