2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid

C13H19NO3 — CID 115001950

IUPAC2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N(C)c1cccc(C)c1
InChIInChI=1S/C13H19NO3/c1-10-6-5-7-11(8-10)14(3)13(2,9-17-4)12(15)16/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyWADTUHPXXYXJIH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.92
Rot. Bonds5

About 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid

2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid (PubChem CID 115001950) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid
PubChem CID115001950
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(C(=O)O)N(C)c1cccc(C)c1
InChIInChI=1S/C13H19NO3/c1-10-6-5-7-11(8-10)14(3)13(2,9-17-4)12(15)16/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyWADTUHPXXYXJIH-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic 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-(4-fluoro-N-methylanilino)-3-methoxy-2-methylpropanoic acid
CID 115000082
2-(aminomethyl)-3-methoxy-2-(3-methylphenyl)propanoic acid
CID 106490721
3-methoxy-2-methyl-2-[methyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 115001276
3,3-dimethoxy-2-N,2-dimethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 66178471
methyl 3-methoxy-2-methyl-2-(3-methylanilino)propanoate
CID 62535893
2-[2,2-dimethylpropyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115001724
3-bromo-5-(N,3-dimethylanilino)benzoic acid
CID 102822791
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
3-(N-(2-methoxyacetyl)-3-methylanilino)-2-methylpropanoic acid
CID 82321836

Frequently Asked Questions

What is the IUPAC name of 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid (CID 115001950) is 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid is COCC(C)(C(=O)O)N(C)c1cccc(C)c1.
What is the InChIKey of 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid?
The InChIKey is WADTUHPXXYXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-6-5-7-11(8-10)14(3)13(2,9-17-4)12(15)16/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid?
2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-dimethylanilino)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115001950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).