(2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid

C19H16N2O6 — CID 58523286

About (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid

(2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid (PubChem CID 58523286) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid
• PubChem CID: 58523286
• Molecular Formula: C19H16N2O6
• Molecular Weight: 368.35 g/mol
• Exact Mass: 368.10
• IUPAC Name: (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@](O)(C(=O)O)c1cc3cnccc3o1)C2
• InChI: InChI=1S/C19H16N2O6/c1-26-13-3-2-11-9-21(17(22)14(11)7-13)10-19(25,18(23)24)16-6-12-8-20-5-4-15(12)27-16/h2-8,25H,9-10H2,1H3,(H,23,24)/t19-/m0/s1
• InChIKey: GXCHXGHKUVBSCU-IBGZPJMESA-N
• XLogP: 1.76
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.35
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid?

The IUPAC name of (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid (CID 58523286) is (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid.

What is the SMILES notation for (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid?

The canonical SMILES for (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid is COc1ccc2c(c1)C(=O)N(C[C@@](O)(C(=O)O)c1cc3cnccc3o1)C2.

What is the InChIKey of (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid?

The InChIKey is GXCHXGHKUVBSCU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H16N2O6/c1-26-13-3-2-11-9-21(17(22)14(11)7-13)10-19(25,18(23)24)16-6-12-8-20-5-4-15(12)27-16/h2-8,25H,9-10H2,1H3,(H,23,24)/t19-/m0/s1.

What are the key properties of (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid?

(2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid has a molecular weight of 368.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid is sourced from PubChem (CID 58523286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).