disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate

C10H12N2Na2O4 — CID 135121958

IUPACdisodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate
SMILESO=C([O-])CCC1=NCC(CCC(=O)[O-])=NC1.[Na+].[Na+]
InChIInChI=1S/C10H14N2O4.2Na/c13-9(14)3-1-7-5-12-8(6-11-7)2-4-10(15)16;;/h1-6H2,(H,13,14)(H,15,16);;/q;2*+1/p-2
InChIKeyOQIUMHKFMGOWHR-UHFFFAOYSA-L
MW270.20 g/mol
LogP-8.05
Rot. Bonds6

About disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate

disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate (PubChem CID 135121958) has the molecular formula C10H12N2Na2O4 and a molecular weight of 270.20 g/mol. Its IUPAC name is disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate.

Molecular Properties

Compound Namedisodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate
PubChem CID135121958
Molecular FormulaC10H12N2Na2O4
Molecular Weight270.20 g/mol
Exact Mass270.06
IUPAC Namedisodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate
SMILESO=C([O-])CCC1=NCC(CCC(=O)[O-])=NC1.[Na+].[Na+]
InChIInChI=1S/C10H14N2O4.2Na/c13-9(14)3-1-7-5-12-8(6-11-7)2-4-10(15)16;;/h1-6H2,(H,13,14)(H,15,16);;/q;2*+1/p-2
InChIKeyOQIUMHKFMGOWHR-UHFFFAOYSA-L
XLogP-8.05
TPSA104.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-8.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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disodium;butanedioate;ethanol
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Frequently Asked Questions

What is the IUPAC name of disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate?
The IUPAC name of disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate (CID 135121958) is disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate.
What is the SMILES notation for disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate?
The canonical SMILES for disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate is O=C([O-])CCC1=NCC(CCC(=O)[O-])=NC1.[Na+].[Na+].
What is the InChIKey of disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate?
The InChIKey is OQIUMHKFMGOWHR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14N2O4.2Na/c13-9(14)3-1-7-5-12-8(6-11-7)2-4-10(15)16;;/h1-6H2,(H,13,14)(H,15,16);;/q;2*+1/p-2.
What are the key properties of disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate?
disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate has a molecular weight of 270.20 g/mol, XLogP of -8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-[6-(2-carboxylatoethyl)-2,5-dihydropyrazin-3-yl]propanoate is sourced from PubChem (CID 135121958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).