2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid

C15H11N3O4S — CID 135973181

IUPAC2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2nc(-c3ccsc3)cnc12
InChIInChI=1S/C15H11N3O4S/c19-11-2-1-9-14(13(11)15(22)17-6-12(20)21)16-5-10(18-9)8-3-4-23-7-8/h1-5,7,19H,6H2,(H,17,22)(H,20,21)
InChIKeyHHDCYOVMNNIKOI-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.88
Rot. Bonds4

About 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid

2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid (PubChem CID 135973181) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid
PubChem CID135973181
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)ccc2nc(-c3ccsc3)cnc12
InChIInChI=1S/C15H11N3O4S/c19-11-2-1-9-14(13(11)15(22)17-6-12(20)21)16-5-10(18-9)8-3-4-23-7-8/h1-5,7,19H,6H2,(H,17,22)(H,20,21)
InChIKeyHHDCYOVMNNIKOI-UHFFFAOYSA-N
XLogP1.88
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid (CID 135973181) is 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)ccc2nc(-c3ccsc3)cnc12.
What is the InChIKey of 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
The InChIKey is HHDCYOVMNNIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-11-2-1-9-14(13(11)15(22)17-6-12(20)21)16-5-10(18-9)8-3-4-23-7-8/h1-5,7,19H,6H2,(H,17,22)(H,20,21).
What are the key properties of 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid?
2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid has a molecular weight of 329.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxy-2-thiophen-3-ylquinoxaline-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 135973181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).