2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid

C17H20N2O4 — CID 120974842

IUPAC2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C17H20N2O4/c1-9-2-3-10(15(20)18-11-4-5-11)8-14(9)19-16(21)12-6-7-13(12)17(22)23/h2-3,8,11-13H,4-7H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyHPLIHHITQKKIHC-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.94
Rot. Bonds5

About 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974842) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974842
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCC1C(=O)O
InChIInChI=1S/C17H20N2O4/c1-9-2-3-10(15(20)18-11-4-5-11)8-14(9)19-16(21)12-6-7-13(12)17(22)23/h2-3,8,11-13H,4-7H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyHPLIHHITQKKIHC-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
cis-(1R,2S)-2-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 138003102
(1R,2R,3R,4R)-3-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124804722
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
2-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941507
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148
3-[[(1S,6S)-6-carboxycyclohex-3-ene-1-carbonyl]amino]-4-methylbenzoic acid
CID 747110
cis-(1S,2R)-2-[(3-acetamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 136582322
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119283991
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974842) is 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is HPLIHHITQKKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-9-2-3-10(15(20)18-11-4-5-11)8-14(9)19-16(21)12-6-7-13(12)17(22)23/h2-3,8,11-13H,4-7H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).