2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid

C12H19N3O3 — CID 62940293

IUPAC2-[(3-oxo-4-propylpyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(C(=O)O)NC1=NC=CN(C1=O)CCC
InChIInChI=1S/C12H19N3O3/c1-3-5-9(12(17)18)14-10-11(16)15(7-4-2)8-6-13-10/h6,8-9H,3-5,7H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyYZZLRUIOIKIVJU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.10
Rot. Bonds7

About 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid

2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid (PubChem CID 62940293) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3-oxo-4-propylpyrazin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid
PubChem CID62940293
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(3-oxo-4-propylpyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(C(=O)O)NC1=NC=CN(C1=O)CCC
InChIInChI=1S/C12H19N3O3/c1-3-5-9(12(17)18)14-10-11(16)15(7-4-2)8-6-13-10/h6,8-9H,3-5,7H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyYZZLRUIOIKIVJU-UHFFFAOYSA-N
XLogP1.10
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity377

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid (CID 62940293) is 2-[(3-oxo-4-propylpyrazin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid is CCCC(C(=O)O)NC1=NC=CN(C1=O)CCC.
What is the InChIKey of 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid?
The InChIKey is YZZLRUIOIKIVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-5-9(12(17)18)14-10-11(16)15(7-4-2)8-6-13-10/h6,8-9H,3-5,7H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid?
2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-Oxo-4-propylpyrazin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 62940293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).