3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid

C13H20N2O2 — CID 106759821

IUPAC3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
SMILESCN(C)c1ccccc1NCC(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-13(2,12(16)17)9-14-10-7-5-6-8-11(10)15(3)4/h5-8,14H,9H2,1-4H3,(H,16,17)
InChIKeyUTGBWNJZFOKWER-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds5

About 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid

3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid (PubChem CID 106759821) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
PubChem CID106759821
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
SMILESCN(C)c1ccccc1NCC(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-13(2,12(16)17)9-14-10-7-5-6-8-11(10)15(3)4/h5-8,14H,9H2,1-4H3,(H,16,17)
InChIKeyUTGBWNJZFOKWER-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic 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

2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
3-anilino-2,2-dimethylpropanoic acid
CID 13028386
(E)-4-[2-(dimethylamino)anilino]but-2-enoic acid
CID 106760146
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid
CID 106760143
3-(2-bromo-3-chloroanilino)-2,2-dimethylpropanoic acid
CID 103479091
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
N-[2-(dimethylamino)phenyl]-2-methoxy-2-methylpropanamide
CID 103028880
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 50985949

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid (CID 106759821) is 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid is CN(C)c1ccccc1NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid?
The InChIKey is UTGBWNJZFOKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,12(16)17)9-14-10-7-5-6-8-11(10)15(3)4/h5-8,14H,9H2,1-4H3,(H,16,17).
What are the key properties of 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid?
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106759821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).