methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate

C12H19N3O3 — CID 62928880

IUPACmethyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1nccn(C(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)15-8-6-13-11(12(15)17)14(3)7-5-10(16)18-4/h6,8-9H,5,7H2,1-4H3
InChIKeyHZBVALDAWYYWRH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.82
Rot. Bonds5

About methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate

methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate (PubChem CID 62928880) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
PubChem CID62928880
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1nccn(C(C)C)c1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)15-8-6-13-11(12(15)17)14(3)7-5-10(16)18-4/h6,8-9H,5,7H2,1-4H3
InChIKeyHZBVALDAWYYWRH-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate (CID 62928880) is methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate is COC(=O)CCN(C)c1nccn(C(C)C)c1=O.
What is the InChIKey of methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate?
The InChIKey is HZBVALDAWYYWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)15-8-6-13-11(12(15)17)14(3)7-5-10(16)18-4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate?
methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62928880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).