(2-oxoazetidin-1-yl) 4-hydroxybutanoate

C7H11NO4 — CID 86754919

IUPAC(2-oxoazetidin-1-yl) 4-hydroxybutanoate
SMILESO=C(CCCO)ON1CCC1=O
InChIInChI=1S/C7H11NO4/c9-5-1-2-7(11)12-8-4-3-6(8)10/h9H,1-5H2
InChIKeyYWZDQPMTGNNMJA-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.55
Rot. Bonds4

About (2-oxoazetidin-1-yl) 4-hydroxybutanoate

(2-oxoazetidin-1-yl) 4-hydroxybutanoate (PubChem CID 86754919) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2-oxoazetidin-1-yl) 4-hydroxybutanoate.

Molecular Properties

Compound Name(2-oxoazetidin-1-yl) 4-hydroxybutanoate
PubChem CID86754919
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2-oxoazetidin-1-yl) 4-hydroxybutanoate
SMILESO=C(CCCO)ON1CCC1=O
InChIInChI=1S/C7H11NO4/c9-5-1-2-7(11)12-8-4-3-6(8)10/h9H,1-5H2
InChIKeyYWZDQPMTGNNMJA-UHFFFAOYSA-N
XLogP-0.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 4-(4-hydroxybutyldisulfanyl)butanoate
CID 166945532
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2-oxopyrrolidin-1-yl) but-3-enoate
CID 68874665
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 3-hydroxypropanoate;(2,5-dioxopyrrolidin-1-yl) 5-methylhexanoate;3-methylbutan-1-ol
CID 144847954
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 8-hydroxy-5-(2-hydroxyethyl)octanoate;(2,5-dioxopyrrolidin-1-yl) 12-hydroxy-9-(2-hydroxyethyl)-5-oxododecanoate
CID 167615874
(2,5-dioxopyrrolidin-1-yl) 3-[4-[2-oxo-2-(2-oxopyrrolidin-1-yl)oxyethyl]piperazin-1-yl]propanoate
CID 170246411
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925

Frequently Asked Questions

What is the IUPAC name of (2-oxoazetidin-1-yl) 4-hydroxybutanoate?
The IUPAC name of (2-oxoazetidin-1-yl) 4-hydroxybutanoate (CID 86754919) is (2-oxoazetidin-1-yl) 4-hydroxybutanoate.
What is the SMILES notation for (2-oxoazetidin-1-yl) 4-hydroxybutanoate?
The canonical SMILES for (2-oxoazetidin-1-yl) 4-hydroxybutanoate is O=C(CCCO)ON1CCC1=O.
What is the InChIKey of (2-oxoazetidin-1-yl) 4-hydroxybutanoate?
The InChIKey is YWZDQPMTGNNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-5-1-2-7(11)12-8-4-3-6(8)10/h9H,1-5H2.
What are the key properties of (2-oxoazetidin-1-yl) 4-hydroxybutanoate?
(2-oxoazetidin-1-yl) 4-hydroxybutanoate has a molecular weight of 173.17 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoazetidin-1-yl) 4-hydroxybutanoate is sourced from PubChem (CID 86754919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).