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

C15H20N2O3 — CID 61194333

IUPAC3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)N(C)C1CCCC1
InChIInChI=1S/C15H20N2O3/c1-10-7-8-11(14(18)19)9-13(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)
InChIKeyDRFKBSODPJFTNF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.10
Rot. Bonds3

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

3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid (PubChem CID 61194333) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
PubChem CID61194333
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)N(C)C1CCCC1
InChIInChI=1S/C15H20N2O3/c1-10-7-8-11(14(18)19)9-13(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)
InChIKeyDRFKBSODPJFTNF-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

4-[[cyclopentyl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61194151
3-(dimethylcarbamoylamino)-4-methylbenzoic acid
CID 61196836
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
CID 47053336
1-cyclohexyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 4089734
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
3-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylbenzoic acid
CID 62360558
4-fluoro-3-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61203150
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
3-methyl-4-[[methyl(oxolan-3-yl)carbamoyl]amino]benzoic acid
CID 82742596
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
4-bromo-2-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 61193976

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid (CID 61194333) is 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)N(C)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid?
The InChIKey is DRFKBSODPJFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-8-11(14(18)19)9-13(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 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid?
3-[[cyclopentyl(methyl)carbamoyl]amino]-4-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 3-[[cyclopentyl(methyl)carbamoyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 61194333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).