3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid

C16H18N2O5 — CID 167765455

IUPAC3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
InChIInChI=1S/C16H18N2O5/c19-14(20)2-7-18(11-3-8-22-9-4-11)16(21)15-12-5-10-23-13(12)1-6-17-15/h1,5-6,10-11H,2-4,7-9H2,(H,19,20)
InChIKeyRSZRQFYKYBRWGN-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.92
Rot. Bonds5

About 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid

3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid (PubChem CID 167765455) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid
PubChem CID167765455
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1
InChIInChI=1S/C16H18N2O5/c19-14(20)2-7-18(11-3-8-22-9-4-11)16(21)15-12-5-10-23-13(12)1-6-17-15/h1,5-6,10-11H,2-4,7-9H2,(H,19,20)
InChIKeyRSZRQFYKYBRWGN-UHFFFAOYSA-N
XLogP1.92
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid?
The IUPAC name of 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid (CID 167765455) is 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid is O=C(O)CCN(C(=O)c1nccc2occc12)C1CCOCC1.
What is the InChIKey of 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid?
The InChIKey is RSZRQFYKYBRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-14(20)2-7-18(11-3-8-22-9-4-11)16(21)15-12-5-10-23-13(12)1-6-17-15/h1,5-6,10-11H,2-4,7-9H2,(H,19,20).
What are the key properties of 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid?
3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furo[3,2-c]pyridine-4-carbonyl(oxan-4-yl)amino]propanoic acid is sourced from PubChem (CID 167765455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).