4-(1,2-dihydroxyethyl)azetidin-2-one

C5H9NO3 — CID 21218615

IUPAC4-(1,2-dihydroxyethyl)azetidin-2-one
SMILESO=C1CC(C(O)CO)N1
InChIInChI=1S/C5H9NO3/c7-2-4(8)3-1-5(9)6-3/h3-4,7-8H,1-2H2,(H,6,9)
InChIKeyPFGHOIILCLTFOJ-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.77
Rot. Bonds2

About 4-(1,2-dihydroxyethyl)azetidin-2-one

4-(1,2-dihydroxyethyl)azetidin-2-one (PubChem CID 21218615) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-(1,2-dihydroxyethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(1,2-dihydroxyethyl)azetidin-2-one
PubChem CID21218615
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name4-(1,2-dihydroxyethyl)azetidin-2-one
SMILESO=C1CC(C(O)CO)N1
InChIInChI=1S/C5H9NO3/c7-2-4(8)3-1-5(9)6-3/h3-4,7-8H,1-2H2,(H,6,9)
InChIKeyPFGHOIILCLTFOJ-UHFFFAOYSA-N
XLogP-1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

4-(2-Hydroxypropyl)azetidin-2-one
CID 55301937
(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one
CID 10844521
4-(2-Hydroxyethyl)-2-azetidinone
CID 12769226
(4R)-4-(2-Hydroxyethyl)azetidin-2-one
CID 12769227
(4S)-4-(1-hydroxypropyl)azetidin-2-one
CID 18638683
(4S)-4-[(2R)-2,3-dihydroxypropyl]azetidin-2-one
CID 22839836
4-(1-Hydroxyethyl)azetidin-2-one
CID 70498789
4-(3-Hydroxyoxiran-2-yl)azetidin-2-one
CID 123152470
(3S,4R)-3-amino-4-[(1S)-1-hydroxyethyl]azetidin-2-one
CID 154199602
(3R,4S)-3-hydroxy-4-(1-hydroxyethyl)azetidin-2-one
CID 10419214
(4S)-4-(2-hydroxyethyl)azetidin-2-one
CID 12769228
3-Hydroxy-4-(1-hydroxyethyl)azetidin-2-one
CID 85138416

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroxyethyl)azetidin-2-one?
The IUPAC name of 4-(1,2-dihydroxyethyl)azetidin-2-one (CID 21218615) is 4-(1,2-dihydroxyethyl)azetidin-2-one.
What is the SMILES notation for 4-(1,2-dihydroxyethyl)azetidin-2-one?
The canonical SMILES for 4-(1,2-dihydroxyethyl)azetidin-2-one is O=C1CC(C(O)CO)N1.
What is the InChIKey of 4-(1,2-dihydroxyethyl)azetidin-2-one?
The InChIKey is PFGHOIILCLTFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-2-4(8)3-1-5(9)6-3/h3-4,7-8H,1-2H2,(H,6,9).
What are the key properties of 4-(1,2-dihydroxyethyl)azetidin-2-one?
4-(1,2-dihydroxyethyl)azetidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroxyethyl)azetidin-2-one is sourced from PubChem (CID 21218615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).