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

C11H16ClN3O2 — CID 103055309

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

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

methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate (PubChem CID 103055309) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate
PubChem CID103055309
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Namemethyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)Cc1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-3-15(5-4-11(16)17-2)8-9-6-14-10(12)7-13-9/h6-7H,3-5,8H2,1-2H3
InChIKeyGYTOIJOTQMIYBU-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 methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate?
The IUPAC name of methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate (CID 103055309) is methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate is CCN(CCC(=O)OC)Cc1cnc(Cl)cn1.
What is the InChIKey of methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate?
The InChIKey is GYTOIJOTQMIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-15(5-4-11(16)17-2)8-9-6-14-10(12)7-13-9/h6-7H,3-5,8H2,1-2H3.
What are the key properties of methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate?
methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]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 methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate is sourced from PubChem (CID 103055309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).