methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate

C11H23NO3 — CID 102977149

IUPACmethyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)CCC(C)(C)OC
InChIInChI=1S/C11H23NO3/c1-11(2,15-5)7-9-12(3)8-6-10(13)14-4/h6-9H2,1-5H3
InChIKeyWETOUIUANUOHEW-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.30
Rot. Bonds7

About methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate

methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate (PubChem CID 102977149) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate
PubChem CID102977149
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)CCC(C)(C)OC
InChIInChI=1S/C11H23NO3/c1-11(2,15-5)7-9-12(3)8-6-10(13)14-4/h6-9H2,1-5H3
InChIKeyWETOUIUANUOHEW-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate (CID 102977149) is methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate is COC(=O)CCN(C)CCC(C)(C)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate?
The InChIKey is WETOUIUANUOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,15-5)7-9-12(3)8-6-10(13)14-4/h6-9H2,1-5H3.
What are the key properties of methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate?
methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-methylbutyl)-methylamino]propanoate is sourced from PubChem (CID 102977149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).