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

C7H7N3O4 — CID 28789420

IUPAC2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C7H7N3O4/c11-5-2-8-4(1-9-5)7(14)10-3-6(12)13/h1-2H,3H2,(H,9,11)(H,10,14)(H,12,13)
InChIKeyQEWNXNRGPAEGNY-UHFFFAOYSA-N
MW197.15 g/mol
LogP-1.42
Rot. Bonds3

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

2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 28789420) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID28789420
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C7H7N3O4/c11-5-2-8-4(1-9-5)7(14)10-3-6(12)13/h1-2H,3H2,(H,9,11)(H,10,14)(H,12,13)
InChIKeyQEWNXNRGPAEGNY-UHFFFAOYSA-N
XLogP-1.42
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Oxo-1,6-dihydropyrazine-2-carboxylic acid
CID 10176178
5,6-Dihydroxypyrazine-2-carboxylic acid
CID 12619140
2-[(6-oxo-1H-pyrazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258463
2-[2-(Methylideneamino)prop-2-enoylamino]acetic acid
CID 123745862
N-methyl-6-oxo-1H-pyrazine-2-carboxamide
CID 170673121
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
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 28789420) is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is QEWNXNRGPAEGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-5-2-8-4(1-9-5)7(14)10-3-6(12)13/h1-2H,3H2,(H,9,11)(H,10,14)(H,12,13).
What are the key properties of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 197.15 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 28789420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).