2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C11H12N4O4S — CID 83203299

IUPAC2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESNC(=O)OCCn1c(SCC(=O)O)nc2cnccc21
InChIInChI=1S/C11H12N4O4S/c12-10(18)19-4-3-15-8-1-2-13-5-7(8)14-11(15)20-6-9(16)17/h1-2,5H,3-4,6H2,(H2,12,18)(H,16,17)
InChIKeyMZGCEHQMKSYART-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.70
Rot. Bonds6

About 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 83203299) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID83203299
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESNC(=O)OCCn1c(SCC(=O)O)nc2cnccc21
InChIInChI=1S/C11H12N4O4S/c12-10(18)19-4-3-15-8-1-2-13-5-7(8)14-11(15)20-6-9(16)17/h1-2,5H,3-4,6H2,(H2,12,18)(H,16,17)
InChIKeyMZGCEHQMKSYART-UHFFFAOYSA-N
XLogP0.70
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 83203299) is 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is NC(=O)OCCn1c(SCC(=O)O)nc2cnccc21.
What is the InChIKey of 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is MZGCEHQMKSYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c12-10(18)19-4-3-15-8-1-2-13-5-7(8)14-11(15)20-6-9(16)17/h1-2,5H,3-4,6H2,(H2,12,18)(H,16,17).
What are the key properties of 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 296.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 83203299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).