3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid

C14H18N2O3 — CID 82624156

IUPAC3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESNc1c(C2CCCC2)nc2c(c1C(=O)O)CCOC2
InChIInChI=1S/C14H18N2O3/c15-12-11(14(17)18)9-5-6-19-7-10(9)16-13(12)8-3-1-2-4-8/h8H,1-7,15H2,(H,17,18)
InChIKeyINQDXGLICQYELJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds2

About 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid

3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (PubChem CID 82624156) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
PubChem CID82624156
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
SMILESNc1c(C2CCCC2)nc2c(c1C(=O)O)CCOC2
InChIInChI=1S/C14H18N2O3/c15-12-11(14(17)18)9-5-6-19-7-10(9)16-13(12)8-3-1-2-4-8/h8H,1-7,15H2,(H,17,18)
InChIKeyINQDXGLICQYELJ-UHFFFAOYSA-N
XLogP2.09
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid (CID 82624156) is 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is Nc1c(C2CCCC2)nc2c(c1C(=O)O)CCOC2.
What is the InChIKey of 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is INQDXGLICQYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-12-11(14(17)18)9-5-6-19-7-10(9)16-13(12)8-3-1-2-4-8/h8H,1-7,15H2,(H,17,18).
What are the key properties of 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid?
3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82624156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).