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

C14H23N3O3 — CID 62939947

IUPAC2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nccn(C(C)(C)C)c1=O)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-6-7-14(5,12(19)20)16-10-11(18)17(9-8-15-10)13(2,3)4/h8-9H,6-7H2,1-5H3,(H,15,16)(H,19,20)
InChIKeyZPEZKAXECFZLEY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.05
Rot. Bonds5

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

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid (PubChem CID 62939947) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
PubChem CID62939947
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nccn(C(C)(C)C)c1=O)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-6-7-14(5,12(19)20)16-10-11(18)17(9-8-15-10)13(2,3)4/h8-9H,6-7H2,1-5H3,(H,15,16)(H,19,20)
InChIKeyZPEZKAXECFZLEY-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-amino-2-methylbutan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 64549067
3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 63194330
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
CID 62939618
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62938265
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111313
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid (CID 62939947) is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid is CCCC(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]-2-methylpentanoic acid?
The InChIKey is ZPEZKAXECFZLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-7-14(5,12(19)20)16-10-11(18)17(9-8-15-10)13(2,3)4/h8-9H,6-7H2,1-5H3,(H,15,16)(H,19,20).
What are the key properties of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid?
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 2.05, 5 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]-2-methylpentanoic acid is sourced from PubChem (CID 62939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).