2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid

C16H23NO3 — CID 103240030

IUPAC2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNCCC1CCCC1
InChIInChI=1S/C16H23NO3/c18-16(19)14-7-3-4-8-15(14)20-12-11-17-10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2,(H,18,19)
InChIKeyFQLMGRDXEKSTSY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.93
Rot. Bonds8

About 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid

2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid (PubChem CID 103240030) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
PubChem CID103240030
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCNCCC1CCCC1
InChIInChI=1S/C16H23NO3/c18-16(19)14-7-3-4-8-15(14)20-12-11-17-10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2,(H,18,19)
InChIKeyFQLMGRDXEKSTSY-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244398
2-[2-(oxan-4-ylmethylamino)ethoxy]benzoic acid
CID 103250909
2-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzoic acid
CID 103255159
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[2-[(2-methylcyclopentyl)methylamino]ethoxy]benzoic acid
CID 107419482
2-[2-(but-3-ynylamino)ethoxy]benzoic acid
CID 103251096
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[3-(cyclopentylmethylsulfanyl)propoxy]benzoic acid
CID 63119953
2-[2-[2-(trifluoromethylsulfanyl)ethylamino]ethoxy]benzoic acid
CID 106430098
2-[2-[[(1S)-1-cyclohexylethyl]amino]ethoxy]benzoic acid
CID 103257504
2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethoxy]benzoic acid
CID 103239179

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid (CID 103240030) is 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCNCCC1CCCC1.
What is the InChIKey of 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid?
The InChIKey is FQLMGRDXEKSTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-16(19)14-7-3-4-8-15(14)20-12-11-17-10-9-13-5-1-2-6-13/h3-4,7-8,13,17H,1-2,5-6,9-12H2,(H,18,19).
What are the key properties of 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid?
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 103240030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).