methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate

C13H21N3O3 — CID 55154894

IUPACmethyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
SMILESCCCn1ccnc(N(CC)CCC(=O)OC)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-8-16-10-7-14-12(13(16)18)15(5-2)9-6-11(17)19-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyTYLSWURTSJAJOR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.04
Rot. Bonds7

About methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate

methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate (PubChem CID 55154894) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
PubChem CID55154894
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate
SMILESCCCn1ccnc(N(CC)CCC(=O)OC)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-8-16-10-7-14-12(13(16)18)15(5-2)9-6-11(17)19-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyTYLSWURTSJAJOR-UHFFFAOYSA-N
XLogP1.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate (CID 55154894) is methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate is CCCn1ccnc(N(CC)CCC(=O)OC)c1=O.
What is the InChIKey of methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
The InChIKey is TYLSWURTSJAJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-8-16-10-7-14-12(13(16)18)15(5-2)9-6-11(17)19-3/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate?
methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate has a molecular weight of 267.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 55154894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).