methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate

C14H23N3O3 — CID 62938384

IUPACmethyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
SMILESCOC(=O)C(Nc1nccn(CC(C)C)c1=O)C(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)8-17-7-6-15-12(13(17)18)16-11(10(3)4)14(19)20-5/h6-7,9-11H,8H2,1-5H3,(H,15,16)
InChIKeyLJBAJVSXDPJXSV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.51
Rot. Bonds6

About methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate

methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate (PubChem CID 62938384) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
PubChem CID62938384
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
SMILESCOC(=O)C(Nc1nccn(CC(C)C)c1=O)C(C)C
InChIInChI=1S/C14H23N3O3/c1-9(2)8-17-7-6-15-12(13(17)18)16-11(10(3)4)14(19)20-5/h6-7,9-11H,8H2,1-5H3,(H,15,16)
InChIKeyLJBAJVSXDPJXSV-UHFFFAOYSA-N
XLogP1.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate (CID 62938384) is methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate is COC(=O)C(Nc1nccn(CC(C)C)c1=O)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate?
The InChIKey is LJBAJVSXDPJXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)8-17-7-6-15-12(13(17)18)16-11(10(3)4)14(19)20-5/h6-7,9-11H,8H2,1-5H3,(H,15,16).
What are the key properties of methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate?
methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate has a molecular weight of 281.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate is sourced from PubChem (CID 62938384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).