(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

IUPAC(2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@](O)(C(=O)O)c1cc3cnccc3o1)C2
InChIInChI=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
InChIKeyGXCHXGHKUVBSCU-IBGZPJMESA-N
MW368.35 g/mol
LogP1.76
Rot. Bonds5

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 CID58523286
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(2S)-2-furo[3,2-c]pyridin-2-yl-2-hydroxy-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@](O)(C(=O)O)c1cc3cnccc3o1)C2
InChIInChI=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
InChIKeyGXCHXGHKUVBSCU-IBGZPJMESA-N
XLogP1.76
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).