(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one

C5H9NO3 — CID 10419214

IUPAC(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one
SMILESCC(O)[C@@H]1NC(=O)[C@@H]1O
InChIInChI=1S/C5H9NO3/c1-2(7)3-4(8)5(9)6-3/h2-4,7-8H,1H3,(H,6,9)/t2?,3-,4+/m0/s1
InChIKeyJSNWDGNZCRHLHG-UJLKTSCASA-N
MW131.13 g/mol
LogP-1.77
Rot. Bonds1

About (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one

(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one (PubChem CID 10419214) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one
PubChem CID10419214
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one
SMILESCC(O)[C@@H]1NC(=O)[C@@H]1O
InChIInChI=1S/C5H9NO3/c1-2(7)3-4(8)5(9)6-3/h2-4,7-8H,1H3,(H,6,9)/t2?,3-,4+/m0/s1
InChIKeyJSNWDGNZCRHLHG-UJLKTSCASA-N
XLogP-1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one (CID 10419214) is (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one is CC(O)[C@@H]1NC(=O)[C@@H]1O.
What is the InChIKey of (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one?
The InChIKey is JSNWDGNZCRHLHG-UJLKTSCASA-N. The full InChI is InChI=1S/C5H9NO3/c1-2(7)3-4(8)5(9)6-3/h2-4,7-8H,1H3,(H,6,9)/t2?,3-,4+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one?
(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one is sourced from PubChem (CID 10419214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).