2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid

C15H18N2O4 — CID 119136419

IUPAC2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-9-7-12(9)14(20)16-11-5-3-10(4-6-11)15(21)17(2)8-13(18)19/h3-6,9,12H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyORNWFRZLPQSLNB-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.44
Rot. Bonds5

About 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid

2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 119136419) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
PubChem CID119136419
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
SMILESCC1CC1C(=O)Nc1ccc(C(=O)N(C)CC(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-9-7-12(9)14(20)16-11-5-3-10(4-6-11)15(21)17(2)8-13(18)19/h3-6,9,12H,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyORNWFRZLPQSLNB-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic 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-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136391
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46431000
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650557
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
CID 114996355
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974818
N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-(3-propan-2-ylphenyl)benzamide
CID 60586858

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid (CID 119136419) is 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid is CC1CC1C(=O)Nc1ccc(C(=O)N(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is ORNWFRZLPQSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-7-12(9)14(20)16-11-5-3-10(4-6-11)15(21)17(2)8-13(18)19/h3-6,9,12H,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119136419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).