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

C14H23N3O3 — CID 62939618

IUPAC2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nccn(C(C)(C)C)c1=O)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-9(2)8-10(13(19)20)16-11-12(18)17(7-6-15-11)14(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)(H,19,20)
InChIKeyQPCURQAIPUOUCG-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.91
Rot. Bonds5

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

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 62939618) 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]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
PubChem CID62939618
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(Nc1nccn(C(C)(C)C)c1=O)C(=O)O
InChIInChI=1S/C14H23N3O3/c1-9(2)8-10(13(19)20)16-11-12(18)17(7-6-15-11)14(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)(H,19,20)
InChIKeyQPCURQAIPUOUCG-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one
CID 62940206
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111313
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 62939947
1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
CID 64604064
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62938265
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
1-tert-butyl-3-[1-(4-chlorophenyl)ethylamino]pyrazin-2-one
CID 62940764
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]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid (CID 62939618) is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid is CC(C)CC(Nc1nccn(C(C)(C)C)c1=O)C(=O)O.
What is the InChIKey of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is QPCURQAIPUOUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)8-10(13(19)20)16-11-12(18)17(7-6-15-11)14(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,15,16)(H,19,20).
What are the key properties of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid?
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.91, 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]-4-methylpentanoic acid is sourced from PubChem (CID 62939618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).