ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate

C11H16ClN3O2 — CID 103055315

IUPACethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-3-17-11(16)4-5-15(2)8-9-6-14-10(12)7-13-9/h6-7H,3-5,8H2,1-2H3
InChIKeyZCXBJPMPRXEVMY-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.51
Rot. Bonds6

About ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate

ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate (PubChem CID 103055315) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate
PubChem CID103055315
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Nameethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-3-17-11(16)4-5-15(2)8-9-6-14-10(12)7-13-9/h6-7H,3-5,8H2,1-2H3
InChIKeyZCXBJPMPRXEVMY-UHFFFAOYSA-N
XLogP1.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate (CID 103055315) is ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate is CCOC(=O)CCN(C)Cc1cnc(Cl)cn1.
What is the InChIKey of ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate?
The InChIKey is ZCXBJPMPRXEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-17-11(16)4-5-15(2)8-9-6-14-10(12)7-13-9/h6-7H,3-5,8H2,1-2H3.
What are the key properties of ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate?
ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate has a molecular weight of 257.72 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 103055315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).