2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid

C15H20N2O4 — CID 63829460

IUPAC2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1(CNC(=O)Nc2ccc(O)c(C(=O)O)c2)CCCC1
InChIInChI=1S/C15H20N2O4/c1-15(6-2-3-7-15)9-16-14(21)17-10-4-5-12(18)11(8-10)13(19)20/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyUPWSWXHBFZFYCU-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.79
Rot. Bonds4

About 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid

2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid (PubChem CID 63829460) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
PubChem CID63829460
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
SMILESCC1(CNC(=O)Nc2ccc(O)c(C(=O)O)c2)CCCC1
InChIInChI=1S/C15H20N2O4/c1-15(6-2-3-7-15)9-16-14(21)17-10-4-5-12(18)11(8-10)13(19)20/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyUPWSWXHBFZFYCU-UHFFFAOYSA-N
XLogP2.79
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61200541
5-fluoro-2-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 63831445
2-hydroxy-5-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206291
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
2-hydroxy-5-(pent-4-ynylcarbamoylamino)benzoic acid
CID 106222968
2-hydroxy-5-(4,4,4-trifluorobutylcarbamoylamino)benzoic acid
CID 115521245
5-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 63219066
1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
CID 103736201
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106374468
2-methyl-5-[(2-methylthiolan-2-yl)methylcarbamoylamino]benzoic acid
CID 80743259
2-methyl-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 81281566
2-chloro-4-[(1-methylcyclopentyl)methylamino]benzoic acid
CID 63830913

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid (CID 63829460) is 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid is CC1(CNC(=O)Nc2ccc(O)c(C(=O)O)c2)CCCC1.
What is the InChIKey of 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
The InChIKey is UPWSWXHBFZFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(6-2-3-7-15)9-16-14(21)17-10-4-5-12(18)11(8-10)13(19)20/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid?
2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(1-methylcyclopentyl)methylcarbamoylamino]benzoic acid is sourced from PubChem (CID 63829460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).