4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid

C13H19N3O3 — CID 62938568

IUPAC4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-13(2,6-5-10(17)18)15-11-12(19)16(8-7-14-11)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyFSIAUQKWZQIMJD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds6

About 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid

4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 62938568) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
PubChem CID62938568
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-13(2,6-5-10(17)18)15-11-12(19)16(8-7-14-11)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyFSIAUQKWZQIMJD-UHFFFAOYSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid (CID 62938568) is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is FSIAUQKWZQIMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,6-5-10(17)18)15-11-12(19)16(8-7-14-11)9-3-4-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62938568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).