4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid

C10H13N3O3 — CID 2800619

IUPAC4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid
SMILESCc1cnc(NC(=O)CCC(=O)O)c(C)n1
InChIInChI=1S/C10H13N3O3/c1-6-5-11-10(7(2)12-6)13-8(14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,11,13,14)
InChIKeyBPGGKTNMMUYSLE-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.90
Rot. Bonds4

About 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid

4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid (PubChem CID 2800619) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid
PubChem CID2800619
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid
SMILESCc1cnc(NC(=O)CCC(=O)O)c(C)n1
InChIInChI=1S/C10H13N3O3/c1-6-5-11-10(7(2)12-6)13-8(14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,11,13,14)
InChIKeyBPGGKTNMMUYSLE-UHFFFAOYSA-N
XLogP0.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)pyrazin-2-yl]amino]-4-oxobutanoic acid
CID 90010175
Methyl 4-[[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyrazin-2-yl]amino]-4-oxobutanoate
CID 90010258
N-(6-methylpyrazin-2-yl)acetamide
CID 23273464
4-[[3-(Difluoromethyl)pyrazin-2-yl]amino]butanoic acid
CID 121659159
4-Oxo-4-(pyrazin-2-ylamino)butanoic acid
CID 24134263
N-(3,5-dimethylpyrazin-2-yl)propanamide
CID 58298328
N-(3,5-dimethylpyrazin-2-yl)acetamide
CID 58425470
N-(5-methylpyrazin-2-yl)acetamide
CID 59694012
N-(5-methylpyrazin-2-yl)propanamide
CID 67134445
N-(5-methylpyrazin-2-yl)butanamide
CID 67185523
4-[(5-Cyanopyrazin-2-yl)amino]-4-oxo-butanoic acid
CID 89437178
Methyl 4-oxo-4-[[5-(2-trimethylsilylethynyl)pyrazin-2-yl]amino]butanoate
CID 89444279

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid (CID 2800619) is 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid is Cc1cnc(NC(=O)CCC(=O)O)c(C)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is BPGGKTNMMUYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-5-11-10(7(2)12-6)13-8(14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16)(H,11,13,14).
What are the key properties of 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid?
4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 2800619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).