3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid

C13H18N2O3 — CID 62845966

IUPAC3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
SMILESCNC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C13H18N2O3/c1-8-7-9(11(16)17)5-6-10(8)15-12(18)13(2,3)14-4/h5-7,14H,1-4H3,(H,15,18)(H,16,17)
InChIKeyWXIHUDYCLMEIFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.63
Rot. Bonds4

About 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid

3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid (PubChem CID 62845966) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
PubChem CID62845966
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
SMILESCNC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C13H18N2O3/c1-8-7-9(11(16)17)5-6-10(8)15-12(18)13(2,3)14-4/h5-7,14H,1-4H3,(H,15,18)(H,16,17)
InChIKeyWXIHUDYCLMEIFV-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic 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

4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid
CID 62834340
N-ethyl-3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzamide
CID 62848154
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-methylbenzoic acid
CID 55245426
N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 55122413
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
4-[(3-carboxy-2-methylbut-2-enoyl)amino]-3-methylbenzoic acid
CID 76993169
4-(2-aminobutanoylamino)-3-methylbenzoic acid
CID 43714054
4-[[(2R)-2-aminobutanoyl]amino]-3-methylbenzoic acid
CID 79024587

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The IUPAC name of 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid (CID 62845966) is 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid.
What is the SMILES notation for 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The canonical SMILES for 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid is CNC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The InChIKey is WXIHUDYCLMEIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-7-9(11(16)17)5-6-10(8)15-12(18)13(2,3)14-4/h5-7,14H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid is sourced from PubChem (CID 62845966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).