2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid

C15H18N2O4 — CID 120516012

IUPAC2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(20)21)17-13(19)10-5-3-9(4-6-10)12(18)16-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyURAUDFFRFSQECY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.17
Rot. Bonds5

About 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid

2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid (PubChem CID 120516012) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
PubChem CID120516012
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(20)21)17-13(19)10-5-3-9(4-6-10)12(18)16-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyURAUDFFRFSQECY-UHFFFAOYSA-N
XLogP1.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
N-cyclopropyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374815
N-cyclobutyl-4-methylbenzamide
CID 23530676
4-benzyl-N-cyclopropylbenzamide
CID 45086871
2-methyl-2-[(4-pentylbenzoyl)amino]propanoic acid
CID 167119423
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid (CID 120516012) is 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is URAUDFFRFSQECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,14(20)21)17-13(19)10-5-3-9(4-6-10)12(18)16-11-7-8-11/h3-6,11H,7-8H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid?
2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120516012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).