4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid

C15H20N2O3 — CID 61194151

IUPAC4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)N(C)C1CCCC1
InChIInChI=1S/C15H20N2O3/c1-10-9-11(14(18)19)7-8-13(10)16-15(20)17(2)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKJONYRKCSWWRFJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.10
Rot. Bonds3

About 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid

4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid (PubChem CID 61194151) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
PubChem CID61194151
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)N(C)C1CCCC1
InChIInChI=1S/C15H20N2O3/c1-10-9-11(14(18)19)7-8-13(10)16-15(20)17(2)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyKJONYRKCSWWRFJ-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61194333
3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742596
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
1-cyclohexyl-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 69479184
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
4-bromo-2-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 61193976
4-(cyclobutylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61198174
4-fluoro-3-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61203150
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid (CID 61194151) is 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)N(C)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
The InChIKey is KJONYRKCSWWRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-11(14(18)19)7-8-13(10)16-15(20)17(2)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid?
4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 61194151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).