2-(cyclopentylamino)-5-formylbenzoic acid

C13H15NO3 — CID 22467381

IUPAC2-(cyclopentylamino)-5-formylbenzoic acid
SMILESO=Cc1ccc(NC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H15NO3/c15-8-9-5-6-12(11(7-9)13(16)17)14-10-3-1-2-4-10/h5-8,10,14H,1-4H2,(H,16,17)
InChIKeyFXZNPMOQEGLVBK-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.55
Rot. Bonds4

About 2-(cyclopentylamino)-5-formylbenzoic acid

2-(cyclopentylamino)-5-formylbenzoic acid (PubChem CID 22467381) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5-formylbenzoic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-5-formylbenzoic acid
PubChem CID22467381
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(cyclopentylamino)-5-formylbenzoic acid
SMILESO=Cc1ccc(NC2CCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H15NO3/c15-8-9-5-6-12(11(7-9)13(16)17)14-10-3-1-2-4-10/h5-8,10,14H,1-4H2,(H,16,17)
InChIKeyFXZNPMOQEGLVBK-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
5-fluoro-2-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101996
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
4-(cyclobutylamino)pyridine-3-carboxylic acid
CID 81243809
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
5-(cyclopentylamino)-2,4-difluorobenzoic acid
CID 43737090
2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146095809
4-(cycloheptylamino)pyridine-3-carboxylic acid
CID 81232550
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5-formylbenzoic acid?
The IUPAC name of 2-(cyclopentylamino)-5-formylbenzoic acid (CID 22467381) is 2-(cyclopentylamino)-5-formylbenzoic acid.
What is the SMILES notation for 2-(cyclopentylamino)-5-formylbenzoic acid?
The canonical SMILES for 2-(cyclopentylamino)-5-formylbenzoic acid is O=Cc1ccc(NC2CCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclopentylamino)-5-formylbenzoic acid?
The InChIKey is FXZNPMOQEGLVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-8-9-5-6-12(11(7-9)13(16)17)14-10-3-1-2-4-10/h5-8,10,14H,1-4H2,(H,16,17).
What are the key properties of 2-(cyclopentylamino)-5-formylbenzoic acid?
2-(cyclopentylamino)-5-formylbenzoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5-formylbenzoic acid is sourced from PubChem (CID 22467381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).