methyl 2-(2-oxoazetidin-1-yl)butanoate

C8H13NO3 — CID 20617418

IUPACmethyl 2-(2-oxoazetidin-1-yl)butanoate
SMILESCCC(C(=O)OC)N1CCC1=O
InChIInChI=1S/C8H13NO3/c1-3-6(8(11)12-2)9-5-4-7(9)10/h6H,3-5H2,1-2H3
InChIKeyPDJZAOJMMQJBMP-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds3

About methyl 2-(2-oxoazetidin-1-yl)butanoate

methyl 2-(2-oxoazetidin-1-yl)butanoate (PubChem CID 20617418) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-(2-oxoazetidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-oxoazetidin-1-yl)butanoate
PubChem CID20617418
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-(2-oxoazetidin-1-yl)butanoate
SMILESCCC(C(=O)OC)N1CCC1=O
InChIInChI=1S/C8H13NO3/c1-3-6(8(11)12-2)9-5-4-7(9)10/h6H,3-5H2,1-2H3
InChIKeyPDJZAOJMMQJBMP-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
methyl (2S)-2-[(4-ethoxy-4-oxobutyl)amino]butanoate;methyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 159535792
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
ethyl 2-bromo-2-(2-oxoazetidin-1-yl)acetate
CID 15632249
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
CID 155803355
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 67414424
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxoazetidin-1-yl)butanoate?
The IUPAC name of methyl 2-(2-oxoazetidin-1-yl)butanoate (CID 20617418) is methyl 2-(2-oxoazetidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(2-oxoazetidin-1-yl)butanoate?
The canonical SMILES for methyl 2-(2-oxoazetidin-1-yl)butanoate is CCC(C(=O)OC)N1CCC1=O.
What is the InChIKey of methyl 2-(2-oxoazetidin-1-yl)butanoate?
The InChIKey is PDJZAOJMMQJBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6(8(11)12-2)9-5-4-7(9)10/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-(2-oxoazetidin-1-yl)butanoate?
methyl 2-(2-oxoazetidin-1-yl)butanoate has a molecular weight of 171.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxoazetidin-1-yl)butanoate is sourced from PubChem (CID 20617418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).