5-cyano-2-(cyclopentylamino)benzoic acid

C13H14N2O2 — CID 22467532

IUPAC5-cyano-2-(cyclopentylamino)benzoic acid
SMILESN#Cc1ccc(NC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c14-8-9-5-6-12(11(7-9)13(16)17)15-10-3-1-2-4-10/h5-7,10,15H,1-4H2,(H,16,17)
InChIKeyJZLYAUBWBKBZCP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.61
Rot. Bonds3

About 5-cyano-2-(cyclopentylamino)benzoic acid

5-cyano-2-(cyclopentylamino)benzoic acid (PubChem CID 22467532) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-cyano-2-(cyclopentylamino)benzoic acid.

Molecular Properties

Compound Name5-cyano-2-(cyclopentylamino)benzoic acid
PubChem CID22467532
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-cyano-2-(cyclopentylamino)benzoic acid
SMILESN#Cc1ccc(NC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c14-8-9-5-6-12(11(7-9)13(16)17)15-10-3-1-2-4-10/h5-7,10,15H,1-4H2,(H,16,17)
InChIKeyJZLYAUBWBKBZCP-UHFFFAOYSA-N
XLogP2.61
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-2-(cyclopentylamino)-N-hexylbenzamide
CID 70067191
2-(cyclopentylamino)-5-formylbenzoic acid
CID 22467381
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
5-cyano-2-cyclobutylbenzoic acid
CID 118469335
3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile
CID 133409421
4-acetyl-3-[(1-cyclopropylpiperidin-4-yl)amino]benzonitrile
CID 133466358
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
4-acetyl-3-[(1-ethylpiperidin-4-yl)amino]benzonitrile
CID 133466162
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
CID 60929293
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(cyclopentylamino)benzoic acid?
The IUPAC name of 5-cyano-2-(cyclopentylamino)benzoic acid (CID 22467532) is 5-cyano-2-(cyclopentylamino)benzoic acid.
What is the SMILES notation for 5-cyano-2-(cyclopentylamino)benzoic acid?
The canonical SMILES for 5-cyano-2-(cyclopentylamino)benzoic acid is N#Cc1ccc(NC2CCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-cyano-2-(cyclopentylamino)benzoic acid?
The InChIKey is JZLYAUBWBKBZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-9-5-6-12(11(7-9)13(16)17)15-10-3-1-2-4-10/h5-7,10,15H,1-4H2,(H,16,17).
What are the key properties of 5-cyano-2-(cyclopentylamino)benzoic acid?
5-cyano-2-(cyclopentylamino)benzoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(cyclopentylamino)benzoic acid is sourced from PubChem (CID 22467532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).