4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid

C12H19N3O4 — CID 55154868

IUPAC4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
SMILESCCCn1ccnc(NC(CCOC)C(=O)O)c1=O
InChIInChI=1S/C12H19N3O4/c1-3-6-15-7-5-13-10(11(15)16)14-9(12(17)18)4-8-19-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyLVQKFLHVOAABHQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.55
Rot. Bonds8

About 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid

4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid (PubChem CID 55154868) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
PubChem CID55154868
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
SMILESCCCn1ccnc(NC(CCOC)C(=O)O)c1=O
InChIInChI=1S/C12H19N3O4/c1-3-6-15-7-5-13-10(11(15)16)14-9(12(17)18)4-8-19-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyLVQKFLHVOAABHQ-UHFFFAOYSA-N
XLogP0.55
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid (CID 55154868) is 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid is CCCn1ccnc(NC(CCOC)C(=O)O)c1=O.
What is the InChIKey of 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is LVQKFLHVOAABHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-6-15-7-5-13-10(11(15)16)14-9(12(17)18)4-8-19-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid?
4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 55154868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).