tert-butyl 2-(2,2-dimethylpropylamino)acetate

C11H23NO2 — CID 23102852

IUPACtert-butyl 2-(2,2-dimethylpropylamino)acetate
SMILESCC(C)(C)CNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(2,3)8-12-7-9(13)14-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyAKIXKBYAIPJCBW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl 2-(2,2-dimethylpropylamino)acetate

tert-butyl 2-(2,2-dimethylpropylamino)acetate (PubChem CID 23102852) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 2-(2,2-dimethylpropylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-dimethylpropylamino)acetate
PubChem CID23102852
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 2-(2,2-dimethylpropylamino)acetate
SMILESCC(C)(C)CNCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(2,3)8-12-7-9(13)14-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyAKIXKBYAIPJCBW-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(2,2-dimethylpropylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

DI-T-Butyl iminodiacetate
CID 4393691
Tert-butyl 2-(methylamino)acetate
CID 5069406
Sarcosine t-butyl ester hydrochloride
CID 11252350
Methyl 3-((2-(tert-butoxy)-2-oxoethyl)amino)propanoate
CID 14845245
Ethyl 2-(isobutylamino)acetate
CID 10877410
Tert-butyl 2-((propan-2-yl)amino)acetate
CID 11469352
Tert-butyl 2-(methylamino)propanoate
CID 18404472
Tert-butyl 2-((2-methoxyethyl)amino)acetate
CID 18925475
Methyl 2-((2-(tert-butoxy)-2-oxoethyl)amino)acetate
CID 21643695
Tert-butyl 2-((2-(dimethylamino)ethyl)amino)acetate
CID 47002972
Tert-butyl 2-[(prop-2-yn-1-yl)amino]acetate
CID 53799891
Tert-butyl 2-[(butan-2-yl)amino]acetate
CID 54042543

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-dimethylpropylamino)acetate?
The IUPAC name of tert-butyl 2-(2,2-dimethylpropylamino)acetate (CID 23102852) is tert-butyl 2-(2,2-dimethylpropylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2,2-dimethylpropylamino)acetate?
The canonical SMILES for tert-butyl 2-(2,2-dimethylpropylamino)acetate is CC(C)(C)CNCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,2-dimethylpropylamino)acetate?
The InChIKey is AKIXKBYAIPJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,3)8-12-7-9(13)14-11(4,5)6/h12H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-(2,2-dimethylpropylamino)acetate?
tert-butyl 2-(2,2-dimethylpropylamino)acetate has a molecular weight of 201.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-dimethylpropylamino)acetate is sourced from PubChem (CID 23102852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).