2-methylpropyl 2-[tert-butyl(methyl)amino]acetate

C11H23NO2 — CID 163600219

IUPAC2-methylpropyl 2-[tert-butyl(methyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)8-14-10(13)7-12(6)11(3,4)5/h9H,7-8H2,1-6H3
InChIKeyGWYGPWOREYVTFG-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds4

About 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate

2-methylpropyl 2-[tert-butyl(methyl)amino]acetate (PubChem CID 163600219) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[tert-butyl(methyl)amino]acetate
PubChem CID163600219
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-methylpropyl 2-[tert-butyl(methyl)amino]acetate
SMILESCC(C)COC(=O)CN(C)C(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)8-14-10(13)7-12(6)11(3,4)5/h9H,7-8H2,1-6H3
InChIKeyGWYGPWOREYVTFG-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
CID 54481908
2-methylpropyl 3,3-dimethylpent-4-enoate
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2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
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2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
2-methylpropyl 7,7-dimethyloctanoate
CID 118937193
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
2-methylpropyl 3-fluoropropanoate
CID 140916120
2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725907
1-O-(2-methylpropyl) 4-O-(2,2,2-trichloroethyl) butanedioate
CID 91701519
2-methylpropyl 2-ethoxyacetate
CID 45108349
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
bis(2-methylpropyl) 2-sulfanylbutanedioate
CID 3017591

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate (CID 163600219) is 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate is CC(C)COC(=O)CN(C)C(C)(C)C.
What is the InChIKey of 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate?
The InChIKey is GWYGPWOREYVTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)8-14-10(13)7-12(6)11(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate?
2-methylpropyl 2-[tert-butyl(methyl)amino]acetate has a molecular weight of 201.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[tert-butyl(methyl)amino]acetate is sourced from PubChem (CID 163600219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).