3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid

C14H17NO2 — CID 106178566

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
SMILESO=C(O)c1cccc(NCCC2=CCCC2)c1
InChIInChI=1S/C14H17NO2/c16-14(17)12-6-3-7-13(10-12)15-9-8-11-4-1-2-5-11/h3-4,6-7,10,15H,1-2,5,8-9H2,(H,16,17)
InChIKeyQESWKLRULIEISX-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.30
Rot. Bonds5

About 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid

3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid (PubChem CID 106178566) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
PubChem CID106178566
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
SMILESO=C(O)c1cccc(NCCC2=CCCC2)c1
InChIInChI=1S/C14H17NO2/c16-14(17)12-6-3-7-13(10-12)15-9-8-11-4-1-2-5-11/h3-4,6-7,10,15H,1-2,5,8-9H2,(H,16,17)
InChIKeyQESWKLRULIEISX-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclopenten-1-yl)ethylamino]-2-(trifluoromethyl)benzoic acid
CID 106178585
3-(2-phenylethylamino)benzoic acid
CID 43139401
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
3-bromo-4-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 114009477
4-[2-(cyclopenten-1-yl)ethylamino]-2-nitrobenzoic acid
CID 106177272
3-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-fluorobenzoic acid
CID 106178055
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
3-[2-(4-chlorophenyl)ethylamino]benzoic acid
CID 82538719
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid (CID 106178566) is 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid is O=C(O)c1cccc(NCCC2=CCCC2)c1.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid?
The InChIKey is QESWKLRULIEISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(17)12-6-3-7-13(10-12)15-9-8-11-4-1-2-5-11/h3-4,6-7,10,15H,1-2,5,8-9H2,(H,16,17).
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid?
3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid has a molecular weight of 231.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid is sourced from PubChem (CID 106178566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).