ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate

C13H19N3O3 — CID 55155469

IUPACethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-3-19-11(17)6-8-15(2)12-13(18)16(9-7-14-12)10-4-5-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyVYEZUZIIFLUAGT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.97
Rot. Bonds6

About ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate

ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate (PubChem CID 55155469) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate
PubChem CID55155469
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-3-19-11(17)6-8-15(2)12-13(18)16(9-7-14-12)10-4-5-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyVYEZUZIIFLUAGT-UHFFFAOYSA-N
XLogP0.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate (CID 55155469) is ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate is CCOC(=O)CCN(C)c1nccn(C2CC2)c1=O.
What is the InChIKey of ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
The InChIKey is VYEZUZIIFLUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-11(17)6-8-15(2)12-13(18)16(9-7-14-12)10-4-5-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate is sourced from PubChem (CID 55155469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).