2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid

C10H15N3O3 — CID 163226854

IUPAC2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccnc(N)c1=O
InChIInChI=1S/C10H15N3O3/c1-6(2)5-7(10(15)16)13-4-3-12-8(11)9(13)14/h3-4,6-7H,5H2,1-2H3,(H2,11,12)(H,15,16)
InChIKeyBNECBFNAOHAKFX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.50
Rot. Bonds4

About 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid

2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid (PubChem CID 163226854) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid
PubChem CID163226854
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccnc(N)c1=O
InChIInChI=1S/C10H15N3O3/c1-6(2)5-7(10(15)16)13-4-3-12-8(11)9(13)14/h3-4,6-7H,5H2,1-2H3,(H2,11,12)(H,15,16)
InChIKeyBNECBFNAOHAKFX-UHFFFAOYSA-N
XLogP0.50
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid (CID 163226854) is 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1ccnc(N)c1=O.
What is the InChIKey of 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid?
The InChIKey is BNECBFNAOHAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)5-7(10(15)16)13-4-3-12-8(11)9(13)14/h3-4,6-7H,5H2,1-2H3,(H2,11,12)(H,15,16).
What are the key properties of 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid?
2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 163226854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).