2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid

C13H18N2O3 — CID 63654554

IUPAC2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
SMILESCNC(C)(C)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-8-5-6-9(7-10(8)11(16)17)15-12(18)13(2,3)14-4/h5-7,14H,1-4H3,(H,15,18)(H,16,17)
InChIKeyHCRUOEOFPVEAEJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid

2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid (PubChem CID 63654554) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
PubChem CID63654554
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
SMILESCNC(C)(C)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-8-5-6-9(7-10(8)11(16)17)15-12(18)13(2,3)14-4/h5-7,14H,1-4H3,(H,15,18)(H,16,17)
InChIKeyHCRUOEOFPVEAEJ-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

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Related Compounds

5-(2,2-dimethylpropanoylamino)-2-methylbenzoic acid
CID 63652956
5-[(2-amino-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 55245402
N-(3-iodo-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834513
5-[(3-amino-2,2-dimethylpropanoyl)amino]-2-methylbenzoic acid
CID 113307660
N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 62835077
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
2-methyl-2-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115165612
N-(4-acetamidophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835436
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The IUPAC name of 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid (CID 63654554) is 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid is CNC(C)(C)C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
The InChIKey is HCRUOEOFPVEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-6-9(7-10(8)11(16)17)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 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid?
2-methyl-5-[[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 2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid is sourced from PubChem (CID 63654554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).