2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid

C9H10N2O3S — CID 2825947

IUPAC2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccccn1
InChIInChI=1S/C9H10N2O3S/c12-8(5-15-6-9(13)14)11-7-3-1-2-4-10-7/h1-4H,5-6H2,(H,13,14)(H,10,11,12)
InChIKeyXWQCYRKRFDBUSU-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.84
Rot. Bonds5

About 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid

2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid (PubChem CID 2825947) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid
PubChem CID2825947
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccccn1
InChIInChI=1S/C9H10N2O3S/c12-8(5-15-6-9(13)14)11-7-3-1-2-4-10-7/h1-4H,5-6H2,(H,13,14)(H,10,11,12)
InChIKeyXWQCYRKRFDBUSU-UHFFFAOYSA-N
XLogP0.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid (CID 2825947) is 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccccn1.
What is the InChIKey of 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid?
The InChIKey is XWQCYRKRFDBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-8(5-15-6-9(13)14)11-7-3-1-2-4-10-7/h1-4H,5-6H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid?
2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid has a molecular weight of 226.26 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetic acid is sourced from PubChem (CID 2825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).