4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid

C13H18N2O2 — CID 83841566

IUPAC4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc2c(n1)CCC2
InChIInChI=1S/C13H18N2O2/c1-15(9-3-6-13(16)17)12-8-7-10-4-2-5-11(10)14-12/h7-8H,2-6,9H2,1H3,(H,16,17)
InChIKeyOVCWNDOIQQHDSF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds5

About 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid

4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid (PubChem CID 83841566) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid
PubChem CID83841566
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1ccc2c(n1)CCC2
InChIInChI=1S/C13H18N2O2/c1-15(9-3-6-13(16)17)12-8-7-10-4-2-5-11(10)14-12/h7-8H,2-6,9H2,1H3,(H,16,17)
InChIKeyOVCWNDOIQQHDSF-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid?
The IUPAC name of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid (CID 83841566) is 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid is CN(CCCC(=O)O)c1ccc2c(n1)CCC2.
What is the InChIKey of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid?
The InChIKey is OVCWNDOIQQHDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(9-3-6-13(16)17)12-8-7-10-4-2-5-11(10)14-12/h7-8H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid?
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 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-yl(methyl)amino]butanoic acid is sourced from PubChem (CID 83841566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).