methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate

C10H17NO3 — CID 23566499

IUPACmethyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1C(=O)C(C)C1C
InChIInChI=1S/C10H17NO3/c1-6-7(2)11(8(6)12)10(3,4)9(13)14-5/h6-7H,1-5H3
InChIKeySNBBGACNULEOHR-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.80
Rot. Bonds2

About methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate

methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate (PubChem CID 23566499) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate
PubChem CID23566499
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1C(=O)C(C)C1C
InChIInChI=1S/C10H17NO3/c1-6-7(2)11(8(6)12)10(3,4)9(13)14-5/h6-7H,1-5H3
InChIKeySNBBGACNULEOHR-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 11019600
Ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
CID 12727490
Ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate
CID 121005908
Methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate
CID 60766753
methyl (2S)-2-[methyl(2-methylpropanoyl)amino]propanoate
CID 45119456
2-(2,2-Dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
CID 162414642
methyl (2S)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-methylbutanoate
CID 178411518
Glycine, N-methyl-N-(3-methyl-1-oxobutyl)-, methyl ester
CID 551711
Methyl 2-[methyl(2-methylpropanoyl)amino]propanoate
CID 20349141
Methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
Methyl 2-[2,3-dimethylbutanoyl(methyl)amino]propanoate
CID 20715308
2-(2,3-Dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoic acid
CID 23566494

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate (CID 23566499) is methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)N1C(=O)C(C)C1C.
What is the InChIKey of methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate?
The InChIKey is SNBBGACNULEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-7(2)11(8(6)12)10(3,4)9(13)14-5/h6-7H,1-5H3.
What are the key properties of methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate?
methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate has a molecular weight of 199.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 23566499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).