2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid

C13H21N3O3 — CID 62938917

IUPAC2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(Nc1nccn(C(C)(C)C)c1=O)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-8(2)9(12(18)19)15-10-11(17)16(7-6-14-10)13(3,4)5/h6-9H,1-5H3,(H,14,15)(H,18,19)
InChIKeyJILNZFVTWCEGKC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.52
Rot. Bonds4

About 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid (PubChem CID 62938917) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
PubChem CID62938917
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(Nc1nccn(C(C)(C)C)c1=O)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-8(2)9(12(18)19)15-10-11(17)16(7-6-14-10)13(3,4)5/h6-9H,1-5H3,(H,14,15)(H,18,19)
InChIKeyJILNZFVTWCEGKC-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid (CID 62938917) is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid is CC(C)C(Nc1nccn(C(C)(C)C)c1=O)C(=O)O.
What is the InChIKey of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is JILNZFVTWCEGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)9(12(18)19)15-10-11(17)16(7-6-14-10)13(3,4)5/h6-9H,1-5H3,(H,14,15)(H,18,19).
What are the key properties of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid?
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 62938917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).