2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid

C13H14N2O3 — CID 106534894

IUPAC2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1nccc2occc12
InChIInChI=1S/C13H14N2O3/c16-13(17)8-2-1-3-10(8)15-12-9-5-7-18-11(9)4-6-14-12/h4-8,10H,1-3H2,(H,14,15)(H,16,17)
InChIKeyWAZXFTFIQREXPS-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.49
Rot. Bonds3

About 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid

2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 106534894) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
PubChem CID106534894
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1nccc2occc12
InChIInChI=1S/C13H14N2O3/c16-13(17)8-2-1-3-10(8)15-12-9-5-7-18-11(9)4-6-14-12/h4-8,10H,1-3H2,(H,14,15)(H,16,17)
InChIKeyWAZXFTFIQREXPS-UHFFFAOYSA-N
XLogP2.49
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid (CID 106534894) is 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Nc1nccc2occc12.
What is the InChIKey of 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WAZXFTFIQREXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)8-2-1-3-10(8)15-12-9-5-7-18-11(9)4-6-14-12/h4-8,10H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid?
2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furo[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106534894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).