2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H20N2O2 — CID 106178559

IUPAC2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1NCCC1=CCCC1)CCC2
InChIInChI=1S/C16H20N2O2/c19-16(20)13-10-12-6-3-7-14(12)18-15(13)17-9-8-11-4-1-2-5-11/h4,10H,1-3,5-9H2,(H,17,18)(H,19,20)
InChIKeyQMJPRJWWVSENCJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 106178559) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID106178559
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1NCCC1=CCCC1)CCC2
InChIInChI=1S/C16H20N2O2/c19-16(20)13-10-12-6-3-7-14(12)18-15(13)17-9-8-11-4-1-2-5-11/h4,10H,1-3,5-9H2,(H,17,18)(H,19,20)
InChIKeyQMJPRJWWVSENCJ-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentyloxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63833983
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 63330966
2-(3-methylsulfonylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709288
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
2-(prop-2-enylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 55107933
2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103464835
2-[2-(cyclohexen-1-yl)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510279
2-(4-methoxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710159
2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115327353
2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709773
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106149536
2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 62269859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 106178559) is 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1NCCC1=CCCC1)CCC2.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is QMJPRJWWVSENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20)13-10-12-6-3-7-14(12)18-15(13)17-9-8-11-4-1-2-5-11/h4,10H,1-3,5-9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 106178559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).