2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid

C15H20N2O4 — CID 63657376

IUPAC2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCN(CC1CCCC1)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-17(9-10-4-2-3-5-10)15(21)16-13-7-6-11(18)8-12(13)14(19)20/h6-8,10,18H,2-5,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyYUWQPSLJSVMNOT-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.74
Rot. Bonds4

About 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid

2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid (PubChem CID 63657376) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
PubChem CID63657376
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCN(CC1CCCC1)C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-17(9-10-4-2-3-5-10)15(21)16-13-7-6-11(18)8-12(13)14(19)20/h6-8,10,18H,2-5,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyYUWQPSLJSVMNOT-UHFFFAOYSA-N
XLogP2.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63655148
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61405805
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61406052
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid (CID 63657376) is 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid is CN(CC1CCCC1)C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The InChIKey is YUWQPSLJSVMNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17(9-10-4-2-3-5-10)15(21)16-13-7-6-11(18)8-12(13)14(19)20/h6-8,10,18H,2-5,9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid?
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 63657376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).