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

C10H8N2O5S — CID 54741195

IUPAC2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C10H8N2O5S/c13-5(14)3-11-9(16)6-7(15)8-4(1-2-18-8)12-10(6)17/h1-2H,3H2,(H,11,16)(H,13,14)(H2,12,15,17)
InChIKeyMVDSTKXZYNZGNR-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.11
Rot. Bonds3

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

2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 54741195) has the molecular formula C10H8N2O5S and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
PubChem CID54741195
Molecular FormulaC10H8N2O5S
Molecular Weight268.25 g/mol
Exact Mass268.02
IUPAC Name2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C10H8N2O5S/c13-5(14)3-11-9(16)6-7(15)8-4(1-2-18-8)12-10(6)17/h1-2H,3H2,(H,11,16)(H,13,14)(H2,12,15,17)
InChIKeyMVDSTKXZYNZGNR-UHFFFAOYSA-N
XLogP0.11
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid (CID 54741195) is 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
The InChIKey is MVDSTKXZYNZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O5S/c13-5(14)3-11-9(16)6-7(15)8-4(1-2-18-8)12-10(6)17/h1-2H,3H2,(H,11,16)(H,13,14)(H2,12,15,17).
What are the key properties of 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 268.25 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 54741195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).