3,3-dimethylbutyl 2-(2-methylpropylamino)acetate

C12H25NO2 — CID 66226218

IUPAC3,3-dimethylbutyl 2-(2-methylpropylamino)acetate
SMILESCC(C)CNCC(=O)OCCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)8-13-9-11(14)15-7-6-12(3,4)5/h10,13H,6-9H2,1-5H3
InChIKeyPNBWUNCCDOJCCK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds6

About 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate

3,3-dimethylbutyl 2-(2-methylpropylamino)acetate (PubChem CID 66226218) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Name3,3-dimethylbutyl 2-(2-methylpropylamino)acetate
PubChem CID66226218
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3,3-dimethylbutyl 2-(2-methylpropylamino)acetate
SMILESCC(C)CNCC(=O)OCCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)8-13-9-11(14)15-7-6-12(3,4)5/h10,13H,6-9H2,1-5H3
InChIKeyPNBWUNCCDOJCCK-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutyl 2-(2-methylpropylamino)acetate
CID 63065072
octyl 2-(2-methylpropylamino)acetate
CID 63065599
methyl 2-(2-methylpropylamino)acetate
CID 22175789
4-O-(3,3-dimethylbutyl) 1-O-methyl butanedioate
CID 59121663
3,3-dimethylbutyl 3-oxobutanoate
CID 13081174
2-(3,3-dimethylbutoxy)-2-oxoethanesulfinate
CID 90949582
3-(3,3-dimethylbutoxy)-3-oxopropane-1-sulfinic acid
CID 91015987
3,3-dimethylbutyl 3-(tert-butylamino)propanoate
CID 66224635
(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
CID 65127392
(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
CID 106665959
butyl 2-(2-methoxypropylamino)acetate
CID 102698141
1-[2-(3,3-dimethylbutoxy)ethyl]-3-(2-methylpropyl)urea
CID 164775026

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate?
The IUPAC name of 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate (CID 66226218) is 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate.
What is the SMILES notation for 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate?
The canonical SMILES for 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate is CC(C)CNCC(=O)OCCC(C)(C)C.
What is the InChIKey of 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate?
The InChIKey is PNBWUNCCDOJCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)8-13-9-11(14)15-7-6-12(3,4)5/h10,13H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate?
3,3-dimethylbutyl 2-(2-methylpropylamino)acetate has a molecular weight of 215.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl 2-(2-methylpropylamino)acetate is sourced from PubChem (CID 66226218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).