2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid

C11H10N2O5 — CID 81078669

IUPAC2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H10N2O5/c1-18-5-7(11(16)17)13-9(14)6-3-2-4-12-8(6)10(13)15/h2-4,7H,5H2,1H3,(H,16,17)
InChIKeyGYFFXQIVWOEQTQ-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.22
Rot. Bonds4

About 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid

2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid (PubChem CID 81078669) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid
PubChem CID81078669
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C11H10N2O5/c1-18-5-7(11(16)17)13-9(14)6-3-2-4-12-8(6)10(13)15/h2-4,7H,5H2,1H3,(H,16,17)
InChIKeyGYFFXQIVWOEQTQ-UHFFFAOYSA-N
XLogP-0.22
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid?
The IUPAC name of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid (CID 81078669) is 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid is COCC(C(=O)O)N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid?
The InChIKey is GYFFXQIVWOEQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-18-5-7(11(16)17)13-9(14)6-3-2-4-12-8(6)10(13)15/h2-4,7H,5H2,1H3,(H,16,17).
What are the key properties of 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid?
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid has a molecular weight of 250.21 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 81078669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).