4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid

C10H15N3O4 — CID 55132733

IUPAC4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid
SMILESCOCCC(Nc1nccn(C)c1=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-13-5-4-11-8(9(13)14)12-7(10(15)16)3-6-17-2/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeySPPHCFNQIOEFDF-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.32
Rot. Bonds6

About 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid

4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid (PubChem CID 55132733) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid
PubChem CID55132733
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid
SMILESCOCCC(Nc1nccn(C)c1=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-13-5-4-11-8(9(13)14)12-7(10(15)16)3-6-17-2/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeySPPHCFNQIOEFDF-UHFFFAOYSA-N
XLogP-0.32
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid (CID 55132733) is 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid is COCCC(Nc1nccn(C)c1=O)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The InChIKey is SPPHCFNQIOEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13-5-4-11-8(9(13)14)12-7(10(15)16)3-6-17-2/h4-5,7H,3,6H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid?
4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methyl-3-oxopyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 55132733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).