ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate

C11H17N3O2 — CID 65236563

IUPACethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate
SMILESCCOC(=O)CC(C)(NC)c1cnccn1
InChIInChI=1S/C11H17N3O2/c1-4-16-10(15)7-11(2,12-3)9-8-13-5-6-14-9/h5-6,8,12H,4,7H2,1-3H3
InChIKeyIBHUFWHHFUOXIM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.86
Rot. Bonds5

About ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate

ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate (PubChem CID 65236563) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate
PubChem CID65236563
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate
SMILESCCOC(=O)CC(C)(NC)c1cnccn1
InChIInChI=1S/C11H17N3O2/c1-4-16-10(15)7-11(2,12-3)9-8-13-5-6-14-9/h5-6,8,12H,4,7H2,1-3H3
InChIKeyIBHUFWHHFUOXIM-UHFFFAOYSA-N
XLogP0.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate?
The IUPAC name of ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate (CID 65236563) is ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate.
What is the SMILES notation for ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate?
The canonical SMILES for ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate is CCOC(=O)CC(C)(NC)c1cnccn1.
What is the InChIKey of ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate?
The InChIKey is IBHUFWHHFUOXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-16-10(15)7-11(2,12-3)9-8-13-5-6-14-9/h5-6,8,12H,4,7H2,1-3H3.
What are the key properties of ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate?
ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate has a molecular weight of 223.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-3-pyrazin-2-ylbutanoate is sourced from PubChem (CID 65236563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).