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

C11H15N3O4 — CID 43210965

IUPAC4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6(2)3-7(11(17)18)14-10(16)8-4-13-9(15)5-12-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyCUZMNSNJGKOBCS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.00
Rot. Bonds5

About 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 43210965) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID43210965
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-6(2)3-7(11(17)18)14-10(16)8-4-13-9(15)5-12-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyCUZMNSNJGKOBCS-UHFFFAOYSA-N
XLogP-0.00
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
CID 175798322
(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28788927
(2S)-4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoic acid
CID 28788929
(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
(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
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790018
(2R)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28790999
(2S)-5-amino-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28791001

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 43210965) is 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is CUZMNSNJGKOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6(2)3-7(11(17)18)14-10(16)8-4-13-9(15)5-12-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43210965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).