2-methylpropyl 1-tert-butylazetidine-3-carboxylate

C12H23NO2 — CID 167338464

IUPAC2-methylpropyl 1-tert-butylazetidine-3-carboxylate
SMILESCC(C)COC(=O)C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)8-15-11(14)10-6-13(7-10)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyXVZPBZCHLFMVIH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds3

About 2-methylpropyl 1-tert-butylazetidine-3-carboxylate

2-methylpropyl 1-tert-butylazetidine-3-carboxylate (PubChem CID 167338464) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methylpropyl 1-tert-butylazetidine-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-tert-butylazetidine-3-carboxylate
PubChem CID167338464
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methylpropyl 1-tert-butylazetidine-3-carboxylate
SMILESCC(C)COC(=O)C1CN(C(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9(2)8-15-11(14)10-6-13(7-10)12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyXVZPBZCHLFMVIH-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl cyclopropanecarboxylate
CID 549520
tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride
CID 68848607
1-O-(4-methylpentyl) 4-O-(2-methylpropyl) cyclohexane-1,4-dicarboxylate
CID 66983850
2-methylpropyl 4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 134192365
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
2-O-tert-butyl 1-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
CID 66983745
cis-2-methylpropyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323797
3-O-(3-methylbutyl) 1-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984045
3-(2-methylpropoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983583
2-O-(2-methylpropyl) 1-O-(3,5,5-trimethylhexyl) cyclohexane-1,2-dicarboxylate
CID 69473655

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-tert-butylazetidine-3-carboxylate?
The IUPAC name of 2-methylpropyl 1-tert-butylazetidine-3-carboxylate (CID 167338464) is 2-methylpropyl 1-tert-butylazetidine-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-tert-butylazetidine-3-carboxylate?
The canonical SMILES for 2-methylpropyl 1-tert-butylazetidine-3-carboxylate is CC(C)COC(=O)C1CN(C(C)(C)C)C1.
What is the InChIKey of 2-methylpropyl 1-tert-butylazetidine-3-carboxylate?
The InChIKey is XVZPBZCHLFMVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)8-15-11(14)10-6-13(7-10)12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-methylpropyl 1-tert-butylazetidine-3-carboxylate?
2-methylpropyl 1-tert-butylazetidine-3-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-tert-butylazetidine-3-carboxylate is sourced from PubChem (CID 167338464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).