2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid

C10H11N3O5 — CID 66863464

IUPAC2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2c([nH]c1=O)CNC2
InChIInChI=1S/C10H11N3O5/c14-6(15)3-12-9(17)7-8(16)4-1-11-2-5(4)13-10(7)18/h11H,1-3H2,(H,12,17)(H,14,15)(H2,13,16,18)
InChIKeyCCUSOEZHSQLGGW-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.50
Rot. Bonds3

About 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid

2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid (PubChem CID 66863464) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid
PubChem CID66863464
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2c([nH]c1=O)CNC2
InChIInChI=1S/C10H11N3O5/c14-6(15)3-12-9(17)7-8(16)4-1-11-2-5(4)13-10(7)18/h11H,1-3H2,(H,12,17)(H,14,15)(H2,13,16,18)
InChIKeyCCUSOEZHSQLGGW-UHFFFAOYSA-N
XLogP-1.50
TPSA131.52 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid (CID 66863464) is 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2c([nH]c1=O)CNC2.
What is the InChIKey of 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is CCUSOEZHSQLGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-6(15)3-12-9(17)7-8(16)4-1-11-2-5(4)13-10(7)18/h11H,1-3H2,(H,12,17)(H,14,15)(H2,13,16,18).
What are the key properties of 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid?
2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 253.21 g/mol, XLogP of -1.50, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrrolo[3,4-b]pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 66863464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).