3-(diethylamino)-2,2,3-trimethylbutanoic acid

C11H23NO2 — CID 79695117

IUPAC3-(diethylamino)-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-7-12(8-2)11(5,6)10(3,4)9(13)14/h7-8H2,1-6H3,(H,13,14)
InChIKeyNUDHBFRVWXGQEW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds5

About 3-(diethylamino)-2,2,3-trimethylbutanoic acid

3-(diethylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 79695117) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(diethylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(diethylamino)-2,2,3-trimethylbutanoic acid
PubChem CID79695117
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(diethylamino)-2,2,3-trimethylbutanoic acid
SMILESCCN(CC)C(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-7-12(8-2)11(5,6)10(3,4)9(13)14/h7-8H2,1-6H3,(H,13,14)
InChIKeyNUDHBFRVWXGQEW-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(diethylamino)-2,2,3-trimethylbutanoic 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-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid
CID 165466732
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
3-(diethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265975
3,3,3-triamino-2,2-dimethylpropanoic acid
CID 87392414
1,1-bis(diethylamino)ethanol;butanedioic acid
CID 175360043
2-ethyl-2,3,3-trimethylbutanedioic acid
CID 54557426
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820146
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
CID 61438417

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(diethylamino)-2,2,3-trimethylbutanoic acid (CID 79695117) is 3-(diethylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(diethylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(diethylamino)-2,2,3-trimethylbutanoic acid is CCN(CC)C(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(diethylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is NUDHBFRVWXGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-7-12(8-2)11(5,6)10(3,4)9(13)14/h7-8H2,1-6H3,(H,13,14).
What are the key properties of 3-(diethylamino)-2,2,3-trimethylbutanoic acid?
3-(diethylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 79695117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).