3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid

C15H20N2O4 — CID 102865703

IUPAC3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)N(CCO)C2CCC2)cccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-12(14(19)20)6-3-7-13(10)16-15(21)17(8-9-18)11-4-2-5-11/h3,6-7,11,18H,2,4-5,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyMAOOHYBOHNIKMO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.07
Rot. Bonds5

About 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid

3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 102865703) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID102865703
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)N(CCO)C2CCC2)cccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10-12(14(19)20)6-3-7-13(10)16-15(21)17(8-9-18)11-4-2-5-11/h3,6-7,11,18H,2,4-5,8-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyMAOOHYBOHNIKMO-UHFFFAOYSA-N
XLogP2.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865496
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62949238
3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62948763
3-bromo-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 63113592
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110890631
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
CID 111754137
5-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 102865413
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
3-(cyclohexylcarbamothioylamino)-2-methylbenzoic acid
CID 91687016
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid (CID 102865703) is 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid is Cc1c(NC(=O)N(CCO)C2CCC2)cccc1C(=O)O.
What is the InChIKey of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is MAOOHYBOHNIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-12(14(19)20)6-3-7-13(10)16-15(21)17(8-9-18)11-4-2-5-11/h3,6-7,11,18H,2,4-5,8-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid?
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 102865703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).