ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate

C10H17NO3 — CID 12727490

IUPACethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
SMILESCCOC(=O)C(C(C)C)N1CCC1=O
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)9(7(2)3)11-6-5-8(11)12/h7,9H,4-6H2,1-3H3
InChIKeyWCZVJPCLOBRNEG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds4

About ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate

ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate (PubChem CID 12727490) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
PubChem CID12727490
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
SMILESCCOC(=O)C(C(C)C)N1CCC1=O
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)9(7(2)3)11-6-5-8(11)12/h7,9H,4-6H2,1-3H3
InChIKeyWCZVJPCLOBRNEG-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 11019600
Ethyl 2-(2-oxoazetidin-1-yl)propanoate
CID 17889145
ethyl (2S)-2-[acetyl(fluoro)amino]-3-methylbutanoate
CID 101696737
Ethyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 15446107
Ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate
CID 121005908
Sarcosine, N-isobutyryl-, butyl ester
CID 91692180
2-(2,2-Dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
CID 162414642
Valine, N-methyl-N-methoxycarbonyl-, butyl ester
CID 91718706
Valine, N-methyl-N-ethoxycarbonyl-, propyl ester
CID 91723027
Valine, N-methyl-N-ethoxycarbonyl-, butyl ester
CID 91723028
Valine, N-methyl-N-ethoxycarbonyl-, ethyl ester
CID 91723029
Valine, N-methyl-n-propoxycarbonyl-, ethyl ester
CID 91726050

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate?
The IUPAC name of ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate (CID 12727490) is ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate?
The canonical SMILES for ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate is CCOC(=O)C(C(C)C)N1CCC1=O.
What is the InChIKey of ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate?
The InChIKey is WCZVJPCLOBRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-10(13)9(7(2)3)11-6-5-8(11)12/h7,9H,4-6H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate?
ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate is sourced from PubChem (CID 12727490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).