3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one

C17H29NO5 — CID 57089748

IUPAC3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one
SMILESCC(O)C1C(=O)N(C2CCCCO2)C1CC(O)C1CCCCO1
InChIInChI=1S/C17H29NO5/c1-11(19)16-12(10-13(20)14-6-2-4-8-22-14)18(17(16)21)15-7-3-5-9-23-15/h11-16,19-20H,2-10H2,1H3
InChIKeyMUDKXBOBCPOOEU-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.04
Rot. Bonds5

About 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one

3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one (PubChem CID 57089748) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one
PubChem CID57089748
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one
SMILESCC(O)C1C(=O)N(C2CCCCO2)C1CC(O)C1CCCCO1
InChIInChI=1S/C17H29NO5/c1-11(19)16-12(10-13(20)14-6-2-4-8-22-14)18(17(16)21)15-7-3-5-9-23-15/h11-16,19-20H,2-10H2,1H3
InChIKeyMUDKXBOBCPOOEU-UHFFFAOYSA-N
XLogP1.04
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-hydroxyethyl)-1-(oxan-2-yl)-4-[1-(oxan-2-yloxy)propan-2-yl]azetidin-2-one
CID 23333030
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
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1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
1-(oxolan-2-yl)ethanol;propanal
CID 174771711
1-(oxan-2-yl)propane-1,3-diol
CID 57060644
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
CID 115820304
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
3-iodo-1-(oxan-2-yl)propan-1-ol
CID 57165332
2-methyl-5-(2-methylpropyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243387
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one?
The IUPAC name of 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one (CID 57089748) is 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one?
The canonical SMILES for 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one is CC(O)C1C(=O)N(C2CCCCO2)C1CC(O)C1CCCCO1.
What is the InChIKey of 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one?
The InChIKey is MUDKXBOBCPOOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-11(19)16-12(10-13(20)14-6-2-4-8-22-14)18(17(16)21)15-7-3-5-9-23-15/h11-16,19-20H,2-10H2,1H3.
What are the key properties of 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one?
3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one has a molecular weight of 327.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4-[2-hydroxy-2-(oxan-2-yl)ethyl]-1-(oxan-2-yl)azetidin-2-one is sourced from PubChem (CID 57089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).