2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid

C13H16N2O3 — CID 62409411

IUPAC2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid
SMILESCC1CC1NC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8-7-10(8)14-13(18)15(2)11-6-4-3-5-9(11)12(16)17/h3-6,8,10H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZTMJIZUZDXRYNC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.94
Rot. Bonds3

About 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid

2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid (PubChem CID 62409411) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid
PubChem CID62409411
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid
SMILESCC1CC1NC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8-7-10(8)14-13(18)15(2)11-6-4-3-5-9(11)12(16)17/h3-6,8,10H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZTMJIZUZDXRYNC-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
2-[(1,1-dioxothiolan-3-yl)carbamoyl-methylamino]benzoic acid
CID 61181828
2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid
CID 106258157
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62331277
methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
CID 62700811
2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid
CID 19030577
2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 61186798
2-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816362
2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
CID 66355662
2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid (CID 62409411) is 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid is CC1CC1NC(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid?
The InChIKey is ZTMJIZUZDXRYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-7-10(8)14-13(18)15(2)11-6-4-3-5-9(11)12(16)17/h3-6,8,10H,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid?
2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 62409411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).