2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

C10H13N3O5 — CID 54969138

IUPAC2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O5/c1-18-3-2-13(6-9(15)16)10(17)7-4-12-8(14)5-11-7/h4-5H,2-3,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyLSBFZDQYKFDKQM-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.06
Rot. Bonds6

About 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 54969138) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID54969138
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O5/c1-18-3-2-13(6-9(15)16)10(17)7-4-12-8(14)5-11-7/h4-5H,2-3,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyLSBFZDQYKFDKQM-UHFFFAOYSA-N
XLogP-1.06
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 54969138) is 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is LSBFZDQYKFDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-3-2-13(6-9(15)16)10(17)7-4-12-8(14)5-11-7/h4-5H,2-3,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54969138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).