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

C12H19N3O3 — CID 55152856

IUPACmethyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate
SMILESCOC(=O)CN(C)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)7-15-6-5-13-11(12(15)17)14(3)8-10(16)18-4/h5-6,9H,7-8H2,1-4H3
InChIKeyUWTONAKEFMBDGK-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.51
Rot. Bonds5

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

methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate (PubChem CID 55152856) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate
PubChem CID55152856
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate
SMILESCOC(=O)CN(C)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)7-15-6-5-13-11(12(15)17)14(3)8-10(16)18-4/h5-6,9H,7-8H2,1-4H3
InChIKeyUWTONAKEFMBDGK-UHFFFAOYSA-N
XLogP0.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate (CID 55152856) is methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate is COC(=O)CN(C)c1nccn(CC(C)C)c1=O.
What is the InChIKey of methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate?
The InChIKey is UWTONAKEFMBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)7-15-6-5-13-11(12(15)17)14(3)8-10(16)18-4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate?
methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate is sourced from PubChem (CID 55152856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).