2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid

C11H10N2O5S — CID 54749369

IUPAC2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sccc21
InChIInChI=1S/C11H10N2O5S/c1-13-5-2-3-19-9(5)8(16)7(11(13)18)10(17)12-4-6(14)15/h2-3,16H,4H2,1H3,(H,12,17)(H,14,15)
InChIKeyWOUZLOXSSVBSGK-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.12
Rot. Bonds3

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

2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid (PubChem CID 54749369) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
PubChem CID54749369
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sccc21
InChIInChI=1S/C11H10N2O5S/c1-13-5-2-3-19-9(5)8(16)7(11(13)18)10(17)12-4-6(14)15/h2-3,16H,4H2,1H3,(H,12,17)(H,14,15)
InChIKeyWOUZLOXSSVBSGK-UHFFFAOYSA-N
XLogP0.12
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid (CID 54749369) is 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sccc21.
What is the InChIKey of 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
The InChIKey is WOUZLOXSSVBSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-13-5-2-3-19-9(5)8(16)7(11(13)18)10(17)12-4-6(14)15/h2-3,16H,4H2,1H3,(H,12,17)(H,14,15).
What are the key properties of 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid?
2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid has a molecular weight of 282.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 54749369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).