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

C8H9N3O4 — CID 28789977

IUPAC2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O4/c1-11(4-7(13)14)8(15)5-2-10-6(12)3-9-5/h2-3H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyDLILAGJEWUQNIC-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.07
Rot. Bonds3

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

2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 28789977) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID28789977
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C8H9N3O4/c1-11(4-7(13)14)8(15)5-2-10-6(12)3-9-5/h2-3H,4H2,1H3,(H,10,12)(H,13,14)
InChIKeyDLILAGJEWUQNIC-UHFFFAOYSA-N
XLogP-1.07
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
3,3,3-trifluoro-2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 79795987
4-acetyl-2,3-dihydro-1H-pyrazine-5-carboxylic acid
CID 153901808
methyl 2-[[(E)-2-amino-3-(ethylideneamino)prop-2-enoyl]amino]acetate
CID 170789910
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
CID 173249540
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789420
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 28789977) is 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is DLILAGJEWUQNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-11(4-7(13)14)8(15)5-2-10-6(12)3-9-5/h2-3H,4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 211.18 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 28789977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).