2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid

C13H16N2O3 — CID 106534898

IUPAC2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid
SMILESCCCC(CNc1nccc2occc12)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-2-3-9(13(16)17)8-15-12-10-5-7-18-11(10)4-6-14-12/h4-7,9H,2-3,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyIVVXBDDOPOPPTA-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.74
Rot. Bonds6

About 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid

2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid (PubChem CID 106534898) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid
PubChem CID106534898
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid
SMILESCCCC(CNc1nccc2occc12)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-2-3-9(13(16)17)8-15-12-10-5-7-18-11(10)4-6-14-12/h4-7,9H,2-3,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyIVVXBDDOPOPPTA-UHFFFAOYSA-N
XLogP2.74
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.74
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)methyl]pentanoic acid?
The IUPAC name of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid (CID 106534898) is 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid is CCCC(CNc1nccc2occc12)C(=O)O.
What is the InChIKey of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid?
The InChIKey is IVVXBDDOPOPPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-3-9(13(16)17)8-15-12-10-5-7-18-11(10)4-6-14-12/h4-7,9H,2-3,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid?
2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pentanoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.74, 6 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)methyl]pentanoic acid is sourced from PubChem (CID 106534898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).