4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid

C15H20N2O3 — CID 63656761

IUPAC4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CCCC1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-17(10-11-4-2-3-5-11)15(20)16-13-8-6-12(7-9-13)14(18)19/h6-9,11H,2-5,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNFNFREHJWOFWOO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.04
Rot. Bonds4

About 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid

4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 63656761) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID63656761
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CCCC1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H20N2O3/c1-17(10-11-4-2-3-5-11)15(20)16-13-8-6-12(7-9-13)14(18)19/h6-9,11H,2-5,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNFNFREHJWOFWOO-UHFFFAOYSA-N
XLogP3.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
3-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoic acid
CID 76950847
4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
CID 102633588
3,5-dichloro-4-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 82811073
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
4-[3-[cyclopentylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119183051
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
4-[[2-cyanoethyl(methyl)carbamoyl]amino]benzoic acid
CID 61184181
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid (CID 63656761) is 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid is CN(CC1CCCC1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is NFNFREHJWOFWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(10-11-4-2-3-5-11)15(20)16-13-8-6-12(7-9-13)14(18)19/h6-9,11H,2-5,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63656761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).