2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C15H16N2O2S — CID 62845332

IUPAC2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(Nc1nc2c(cc1C(=O)O)CCC2)c1ccsc1
InChIInChI=1S/C15H16N2O2S/c1-9(11-5-6-20-8-11)16-14-12(15(18)19)7-10-3-2-4-13(10)17-14/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyUMEMSUJYKVMJNG-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.50
Rot. Bonds4

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

2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62845332) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62845332
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCC(Nc1nc2c(cc1C(=O)O)CCC2)c1ccsc1
InChIInChI=1S/C15H16N2O2S/c1-9(11-5-6-20-8-11)16-14-12(15(18)19)7-10-3-2-4-13(10)17-14/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyUMEMSUJYKVMJNG-UHFFFAOYSA-N
XLogP3.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62845332) is 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CC(Nc1nc2c(cc1C(=O)O)CCC2)c1ccsc1.
What is the InChIKey of 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is UMEMSUJYKVMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9(11-5-6-20-8-11)16-14-12(15(18)19)7-10-3-2-4-13(10)17-14/h5-9H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62845332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).