2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid

C15H20N2O4 — CID 120518687

IUPAC2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C)C(=O)c1cccc(C(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)17(5)13(19)11-8-6-7-10(9-11)12(18)16(3)4/h6-9H,1-5H3,(H,20,21)
InChIKeyCNQOLNPXOOUQNC-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.32
Rot. Bonds4

About 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid

2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120518687) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
PubChem CID120518687
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C)C(=O)c1cccc(C(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)17(5)13(19)11-8-6-7-10(9-11)12(18)16(3)4/h6-9H,1-5H3,(H,20,21)
InChIKeyCNQOLNPXOOUQNC-UHFFFAOYSA-N
XLogP1.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-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-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849
2-[(3-chloro-4-iodobenzoyl)-methylamino]-2-methylpropanoic acid
CID 103219075
2-[(3,5-dibromobenzoyl)-methylamino]-2-methylpropanoic acid
CID 107971376
2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818805
2-[(4-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 106703244
2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid
CID 119200789
2-methyl-2-[methyl-(3-pyrazin-2-yloxybenzoyl)amino]propanoic acid
CID 120518751
2-[(3-methoxy-4-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 62817918
1-N-(2-amino-2-methylpropyl)-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 119630681
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 70359048
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
4-benzoyl-N,N-dimethylbenzamide
CID 12779824

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid (CID 120518687) is 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid is CN(C)C(=O)c1cccc(C(=O)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is CNQOLNPXOOUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,14(20)21)17(5)13(19)11-8-6-7-10(9-11)12(18)16(3)4/h6-9H,1-5H3,(H,20,21).
What are the key properties of 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid?
2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylcarbamoyl)benzoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120518687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).