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

C9H11N3O4 — CID 60988617

IUPAC3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-12(3-2-8(14)15)9(16)6-4-11-7(13)5-10-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15)
InChIKeyAAQZYGGMGAZYAU-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.68
Rot. Bonds4

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

3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 60988617) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID60988617
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C9H11N3O4/c1-12(3-2-8(14)15)9(16)6-4-11-7(13)5-10-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15)
InChIKeyAAQZYGGMGAZYAU-UHFFFAOYSA-N
XLogP-0.68
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789464
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499
(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
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43151790
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43361018
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552
3-[4-(6-oxo-1H-pyrazine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522085
methyl 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoate
CID 54898781
2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 54925454

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 60988617) is 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is AAQZYGGMGAZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-12(3-2-8(14)15)9(16)6-4-11-7(13)5-10-6/h4-5H,2-3H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60988617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).