3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid

C10H13N3O6 — CID 171866602

IUPAC3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid
SMILESCCOC(=O)C(O)C(O)c1cnc(N)c(C(=O)O)n1
InChIInChI=1S/C10H13N3O6/c1-2-19-10(18)7(15)6(14)4-3-12-8(11)5(13-4)9(16)17/h3,6-7,14-15H,2H2,1H3,(H2,11,12)(H,16,17)
InChIKeyKTFDQZOFWDPUNC-UHFFFAOYSA-N
MW271.23 g/mol
LogP-1.29
Rot. Bonds5

About 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid

3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid (PubChem CID 171866602) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid
PubChem CID171866602
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid
SMILESCCOC(=O)C(O)C(O)c1cnc(N)c(C(=O)O)n1
InChIInChI=1S/C10H13N3O6/c1-2-19-10(18)7(15)6(14)4-3-12-8(11)5(13-4)9(16)17/h3,6-7,14-15H,2H2,1H3,(H2,11,12)(H,16,17)
InChIKeyKTFDQZOFWDPUNC-UHFFFAOYSA-N
XLogP-1.29
TPSA155.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-(5-amino-6-methoxypyrazin-2-yl)-2,3-dihydroxypropanoate
CID 171866243
ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
CID 171897017
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
6-chloro-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-2-carboxylic acid
CID 171866522
methyl 3-amino-6-(4-bromo-1,2-dihydroxybutyl)pyrazine-2-carboxylate
CID 171892731
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 2,3-dihydroxy-3-(1-methylimidazol-4-yl)propanoate
CID 171867145
methyl 2-amino-5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylate
CID 171866731
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
ethyl 3-(3-amino-6-methyl-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865781

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid (CID 171866602) is 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid is CCOC(=O)C(O)C(O)c1cnc(N)c(C(=O)O)n1.
What is the InChIKey of 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid?
The InChIKey is KTFDQZOFWDPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-2-19-10(18)7(15)6(14)4-3-12-8(11)5(13-4)9(16)17/h3,6-7,14-15H,2H2,1H3,(H2,11,12)(H,16,17).
What are the key properties of 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid?
3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of -1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 171866602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).