2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid

C10H13N3O4S — CID 120963858

IUPAC2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid
SMILESCCOC(=O)CSc1cncc(NCC(=O)O)n1
InChIInChI=1S/C10H13N3O4S/c1-2-17-10(16)6-18-8-4-11-3-7(13-8)12-5-9(14)15/h3-4H,2,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyHTVOTOTUHDSVLS-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.63
Rot. Bonds7

About 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid

2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid (PubChem CID 120963858) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid
PubChem CID120963858
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid
SMILESCCOC(=O)CSc1cncc(NCC(=O)O)n1
InChIInChI=1S/C10H13N3O4S/c1-2-17-10(16)6-18-8-4-11-3-7(13-8)12-5-9(14)15/h3-4H,2,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyHTVOTOTUHDSVLS-UHFFFAOYSA-N
XLogP0.63
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]pentanoic acid
CID 122060719
4-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 122060207
3-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]-methylamino]propanoic acid
CID 122059550
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
methyl 2-[6-[(4-bromo-2-methylphenyl)methylamino]pyrazin-2-yl]sulfanylacetate
CID 133470856
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
CID 66332295
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid (CID 120963858) is 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid is CCOC(=O)CSc1cncc(NCC(=O)O)n1.
What is the InChIKey of 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid?
The InChIKey is HTVOTOTUHDSVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-2-17-10(16)6-18-8-4-11-3-7(13-8)12-5-9(14)15/h3-4H,2,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid?
2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid has a molecular weight of 271.30 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]acetic acid is sourced from PubChem (CID 120963858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).