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

C17H14N2O5S — CID 54741193

IUPAC2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2ccsc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H14N2O5S/c20-12(21)8-18-15(23)13-14(22)11-6-7-25-17(11)19(16(13)24)9-10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H,18,23)(H,20,21)
InChIKeyUBMMGWYURZWBMH-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.63
Rot. Bonds5

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

2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 54741193) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
PubChem CID54741193
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c2ccsc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H14N2O5S/c20-12(21)8-18-15(23)13-14(22)11-6-7-25-17(11)19(16(13)24)9-10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H,18,23)(H,20,21)
InChIKeyUBMMGWYURZWBMH-UHFFFAOYSA-N
XLogP1.63
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(1-benzyl-4-hydroxy-2-oxo-6-propan-2-yloxyquinoline-3-carbonyl)amino]acetic acid
CID 54685233
2-[(1-benzyl-4-hydroxy-2-oxo-6-propoxyquinoline-3-carbonyl)amino]acetic acid
CID 143432319
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685209
2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 135929042
2-[[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-oxo-5,7-dihydrothieno[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 54747846
4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734579
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
2-[[6-fluoro-4-hydroxy-2-oxo-1-(3-phenylpropyl)quinoline-3-carbonyl]amino]acetic acid
CID 70316747
2-[[4-hydroxy-2-oxo-1-[[4-(1,3-thiazol-2-yl)phenyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
CID 68785370

Frequently Asked Questions

What is the IUPAC name of 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid (CID 54741193) is 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2ccsc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is UBMMGWYURZWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-12(21)8-18-15(23)13-14(22)11-6-7-25-17(11)19(16(13)24)9-10-4-2-1-3-5-10/h1-7,22H,8-9H2,(H,18,23)(H,20,21).
What are the key properties of 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid?
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 358.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 54741193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).