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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Related Compounds

2-[1-[3-(methylamino)-3-oxopropyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292908
2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79273014
2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 103462857
2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 81178402
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79270354
2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292551
2-[3-(2-carbamoyloxyethyl)-7-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 83205623
2-[1-(1-methoxy-3-methylbutan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79274594
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271520
2-[5-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 104763079
2-[1-[1-(ethylamino)-1-oxopropan-2-yl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79272624
2-[[4-(2-carbamoyloxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 83203424

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).