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

C10H13N3O4 — CID 28789252

IUPAC(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-5(2)8(10(16)17)13-9(15)6-3-12-7(14)4-11-6/h3-5,8H,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyOJDMAMJXOSKSTJ-QMMMGPOBSA-N
MW239.23 g/mol
LogP-0.39
Rot. Bonds4

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

(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 28789252) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID28789252
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-5(2)8(10(16)17)13-9(15)6-3-12-7(14)4-11-6/h3-5,8H,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyOJDMAMJXOSKSTJ-QMMMGPOBSA-N
XLogP-0.39
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 79795987
(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-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788935
(2S)-4-methylsulfanyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28788937
(2S,3R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789024
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2R)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789341
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789343
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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 28789252) is (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is CC(C)[C@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is OJDMAMJXOSKSTJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5(2)8(10(16)17)13-9(15)6-3-12-7(14)4-11-6/h3-5,8H,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28789252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).