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

C9H10N4O5 — CID 28790272

IUPAC(2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C9H10N4O5/c10-6(14)1-4(9(17)18)13-8(16)5-2-12-7(15)3-11-5/h2-4H,1H2,(H2,10,14)(H,12,15)(H,13,16)(H,17,18)/t4-/m1/s1
InChIKeyCLWFBVULOMFWEW-SCSAIBSYSA-N
MW254.20 g/mol
LogP-2.17
Rot. Bonds5

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

(2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (PubChem CID 28790272) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
PubChem CID28790272
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name(2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C9H10N4O5/c10-6(14)1-4(9(17)18)13-8(16)5-2-12-7(15)3-11-5/h2-4H,1H2,(H2,10,14)(H,12,15)(H,13,16)(H,17,18)/t4-/m1/s1
InChIKeyCLWFBVULOMFWEW-SCSAIBSYSA-N
XLogP-2.17
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789499
(2S)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28790274
(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28790333
(2S)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28790335
4-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43151790
3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211028
4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43211154
4-Amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43211166
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43469552
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43631077

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid (CID 28790272) is (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is NC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
The InChIKey is CLWFBVULOMFWEW-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H10N4O5/c10-6(14)1-4(9(17)18)13-8(16)5-2-12-7(15)3-11-5/h2-4H,1H2,(H2,10,14)(H,12,15)(H,13,16)(H,17,18)/t4-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid has a molecular weight of 254.20 g/mol, XLogP of -2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28790272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).