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

C16H18N2O2S — CID 62710326

IUPAC2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC(Nc1nc2c(cc1C(=O)O)CCC2)c1cccs1
InChIInChI=1S/C16H18N2O2S/c1-2-12(14-7-4-8-21-14)17-15-11(16(19)20)9-10-5-3-6-13(10)18-15/h4,7-9,12H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyJSVITGMBBMCPGP-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.89
Rot. Bonds5

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

2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62710326) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62710326
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCCC(Nc1nc2c(cc1C(=O)O)CCC2)c1cccs1
InChIInChI=1S/C16H18N2O2S/c1-2-12(14-7-4-8-21-14)17-15-11(16(19)20)9-10-5-3-6-13(10)18-15/h4,7-9,12H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyJSVITGMBBMCPGP-UHFFFAOYSA-N
XLogP3.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710458
2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710679
2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103464835
4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid
CID 81304393
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 107854792
2-(3-methylsulfonylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709288
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850348
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 97113772
N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19771561
2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709608
2-[2-(cyclopenten-1-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 106178559

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62710326) is 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CCC(Nc1nc2c(cc1C(=O)O)CCC2)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is JSVITGMBBMCPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-12(14-7-4-8-21-14)17-15-11(16(19)20)9-10-5-3-6-13(10)18-15/h4,7-9,12H,2-3,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62710326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).