methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate

C13H19N3O3 — CID 55155088

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

About methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate

methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate (PubChem CID 55155088) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate
PubChem CID55155088
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-15(8-3-4-11(17)19-2)12-13(18)16(9-7-14-12)10-5-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyMFVCQZFZZOECLB-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 methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate (CID 55155088) is methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate is COC(=O)CCCN(C)c1nccn(C2CC2)c1=O.
What is the InChIKey of methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate?
The InChIKey is MFVCQZFZZOECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(8-3-4-11(17)19-2)12-13(18)16(9-7-14-12)10-5-6-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate?
methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate 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 methyl 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]butanoate is sourced from PubChem (CID 55155088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).