2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid

C10H8N2O3S — CID 44579687

IUPAC2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1nccc2ccsc12
InChIInChI=1S/C10H8N2O3S/c13-7(14)5-12-10(15)8-9-6(1-3-11-8)2-4-16-9/h1-4H,5H2,(H,12,15)(H,13,14)
InChIKeyMSBVCCLENDLDHD-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.11
Rot. Bonds3

About 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid

2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid (PubChem CID 44579687) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid
PubChem CID44579687
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1nccc2ccsc12
InChIInChI=1S/C10H8N2O3S/c13-7(14)5-12-10(15)8-9-6(1-3-11-8)2-4-16-9/h1-4H,5H2,(H,12,15)(H,13,14)
InChIKeyMSBVCCLENDLDHD-UHFFFAOYSA-N
XLogP1.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid?
The IUPAC name of 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid (CID 44579687) is 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid.
What is the SMILES notation for 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid?
The canonical SMILES for 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid is O=C(O)CNC(=O)c1nccc2ccsc12.
What is the InChIKey of 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid?
The InChIKey is MSBVCCLENDLDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-7(14)5-12-10(15)8-9-6(1-3-11-8)2-4-16-9/h1-4H,5H2,(H,12,15)(H,13,14).
What are the key properties of 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid?
2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid has a molecular weight of 236.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[2,3-c]pyridine-7-carbonylamino)acetic acid is sourced from PubChem (CID 44579687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).