2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid

C11H23NO2 — CID 114987750

IUPAC2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
SMILESCCC(CC)(NCC(C)(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-11(7-2,9(13)14)12-8-10(3,4)5/h12H,6-8H2,1-5H3,(H,13,14)
InChIKeyCBFANEDSTKKXAD-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.27
Rot. Bonds5

About 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid

2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid (PubChem CID 114987750) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
PubChem CID114987750
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid
SMILESCCC(CC)(NCC(C)(C)C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-11(7-2,9(13)14)12-8-10(3,4)5/h12H,6-8H2,1-5H3,(H,13,14)
InChIKeyCBFANEDSTKKXAD-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid 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

2-ethyl-2-[(2-hydroxy-2-phenylpropyl)amino]butanoic acid
CID 79809198
2-(cyanomethylamino)-2-ethylbutanoic acid
CID 79810338
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
CID 79810255
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-[[2-(tert-butylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803868
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79810348
2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79804517
2-ethyl-2-formamidobutanoic acid
CID 63689307
2-ethyl-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]butanoic acid
CID 79803537
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid?
The IUPAC name of 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid (CID 114987750) is 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid is CCC(CC)(NCC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid?
The InChIKey is CBFANEDSTKKXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-11(7-2,9(13)14)12-8-10(3,4)5/h12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid?
2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-2-ethylbutanoic acid is sourced from PubChem (CID 114987750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).