methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate

C11H19NO3 — CID 24814802

IUPACmethyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate
SMILESCOC(=O)C1(C)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-7-6-11(12,4)9(14)15-5/h6-7H2,1-5H3
InChIKeyAUCZDYMBGSQSGT-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds1

About methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate

methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate (PubChem CID 24814802) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate
PubChem CID24814802
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate
SMILESCOC(=O)C1(C)CCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-10(2,3)8(13)12-7-6-11(12,4)9(14)15-5/h6-7H2,1-5H3
InChIKeyAUCZDYMBGSQSGT-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821736
Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821735
Methyl 1-tert-butyl-2-azetidinecarboxylate
CID 419968
1-tert-Butyl 2-methyl (2R)-azetidine-1,2-dicarboxylate
CID 57415867
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
Methyl 1-tert-butylazetidine-2-carboxylate;hydrochloride
CID 24191209
Methyl 2-[acetyl(methyl)amino]-2-methylbutanoate
CID 20650078
Methyl 1-acetylazetidine-2-carboxylate
CID 22328398
Methyl 2-(2,3-dimethyl-4-oxoazetidin-1-yl)-2-methylpropanoate
CID 23566499
1-O-tert-butyl 2-O-methyl 2-ethylazetidine-1,2-dicarboxylate
CID 68175918
1-tert-butyl 2-methyl (2S)-2-methylazetidine-1,2-dicarboxylate
CID 68176080

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate (CID 24814802) is methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate is COC(=O)C1(C)CCN1C(=O)C(C)(C)C.
What is the InChIKey of methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate?
The InChIKey is AUCZDYMBGSQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)8(13)12-7-6-11(12,4)9(14)15-5/h6-7H2,1-5H3.
What are the key properties of methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate?
methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropanoyl)-2-methylazetidine-2-carboxylate is sourced from PubChem (CID 24814802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).