4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid

C16H16N2O2 — CID 122035144

IUPAC4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2ccc3c(n2)CCC3)cc1
InChIInChI=1S/C16H16N2O2/c19-16(20)13-6-4-11(5-7-13)10-17-15-9-8-12-2-1-3-14(12)18-15/h4-9H,1-3,10H2,(H,17,18)(H,19,20)
InChIKeyWIWYKJAGMRKCJF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.88
Rot. Bonds4

About 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid

4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid (PubChem CID 122035144) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
PubChem CID122035144
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid
SMILESO=C(O)c1ccc(CNc2ccc3c(n2)CCC3)cc1
InChIInChI=1S/C16H16N2O2/c19-16(20)13-6-4-11(5-7-13)10-17-15-9-8-12-2-1-3-14(12)18-15/h4-9H,1-3,10H2,(H,17,18)(H,19,20)
InChIKeyWIWYKJAGMRKCJF-UHFFFAOYSA-N
XLogP2.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid with MolForge

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)acetic acid
CID 83830034
4-[(5,6,7,8-tetrahydroquinolin-3-ylamino)methyl]benzoic acid
CID 122032731
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709773
N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390795
N-(5,6,7,8-tetrahydroquinolin-2-yl)acetamide
CID 10035435
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122056848
4-[[(5-cyclobutyl-2-pyridinyl)amino]methyl]benzoic acid
CID 122034848
N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106191346
N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390871
N-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390813

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid?
The IUPAC name of 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid (CID 122035144) is 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid.
What is the SMILES notation for 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid?
The canonical SMILES for 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid is O=C(O)c1ccc(CNc2ccc3c(n2)CCC3)cc1.
What is the InChIKey of 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid?
The InChIKey is WIWYKJAGMRKCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)13-6-4-11(5-7-13)10-17-15-9-8-12-2-1-3-14(12)18-15/h4-9H,1-3,10H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid?
4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid has a molecular weight of 268.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)methyl]benzoic acid is sourced from PubChem (CID 122035144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).