2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid

C15H20N2O4 — CID 61405932

IUPAC2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCCN(C(=O)Nc1ccc(O)cc1C(=O)O)C1CCCC1
InChIInChI=1S/C15H20N2O4/c1-2-17(10-5-3-4-6-10)15(21)16-13-8-7-11(18)9-12(13)14(19)20/h7-10,18H,2-6H2,1H3,(H,16,21)(H,19,20)
InChIKeyAFMZTCRFRAXIEZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.89
Rot. Bonds4

About 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid

2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid (PubChem CID 61405932) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
PubChem CID61405932
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
SMILESCCN(C(=O)Nc1ccc(O)cc1C(=O)O)C1CCCC1
InChIInChI=1S/C15H20N2O4/c1-2-17(10-5-3-4-6-10)15(21)16-13-8-7-11(18)9-12(13)14(19)20/h7-10,18H,2-6H2,1H3,(H,16,21)(H,19,20)
InChIKeyAFMZTCRFRAXIEZ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61406052
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid (CID 61405932) is 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid is CCN(C(=O)Nc1ccc(O)cc1C(=O)O)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
The InChIKey is AFMZTCRFRAXIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-17(10-5-3-4-6-10)15(21)16-13-8-7-11(18)9-12(13)14(19)20/h7-10,18H,2-6H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid?
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61405932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).