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

C12H17N3O3 — CID 55155470

IUPACmethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-14(7-5-10(16)18-2)11-12(17)15(8-6-13-11)9-3-4-9/h6,8-9H,3-5,7H2,1-2H3
InChIKeyYARVMCYWGKVYQR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.58
Rot. Bonds5

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

methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate (PubChem CID 55155470) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate
PubChem CID55155470
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-14(7-5-10(16)18-2)11-12(17)15(8-6-13-11)9-3-4-9/h6,8-9H,3-5,7H2,1-2H3
InChIKeyYARVMCYWGKVYQR-UHFFFAOYSA-N
XLogP0.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate (CID 55155470) is methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate is COC(=O)CCN(C)c1nccn(C2CC2)c1=O.
What is the InChIKey of methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
The InChIKey is YARVMCYWGKVYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14(7-5-10(16)18-2)11-12(17)15(8-6-13-11)9-3-4-9/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate?
methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate has a molecular weight of 251.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]propanoate is sourced from PubChem (CID 55155470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).