2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid

C15H18N2O4 — CID 119136391

IUPAC2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-9-6-12(9)14(20)16-11-5-3-4-10(7-11)15(21)17(2)8-13(18)19/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGYNWCYYNRDIINV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.44
Rot. Bonds5

About 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid

2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid (PubChem CID 119136391) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
PubChem CID119136391
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C15H18N2O4/c1-9-6-12(9)14(20)16-11-5-3-4-10(7-11)15(21)17(2)8-13(18)19/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGYNWCYYNRDIINV-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

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Related Compounds

2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
3-[ethyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]propanoic acid
CID 119190959
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539430
N-ethyl-N-(2-hydroxyethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 78866235
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60525442
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid (CID 119136391) is 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid is CC1CC1C(=O)Nc1cccc(C(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
The InChIKey is GYNWCYYNRDIINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-6-12(9)14(20)16-11-5-3-4-10(7-11)15(21)17(2)8-13(18)19/h3-5,7,9,12H,6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid?
2-[methyl-[3-[(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-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119136391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).