methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate

C11H21NO3 — CID 118118151

IUPACmethyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate
SMILESCOC(=O)CCC1CN(C(C)C)CCO1
InChIInChI=1S/C11H21NO3/c1-9(2)12-6-7-15-10(8-12)4-5-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWYSSAEJVPLJUQV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate

methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate (PubChem CID 118118151) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate
PubChem CID118118151
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate
SMILESCOC(=O)CCC1CN(C(C)C)CCO1
InChIInChI=1S/C11H21NO3/c1-9(2)12-6-7-15-10(8-12)4-5-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWYSSAEJVPLJUQV-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate?
The IUPAC name of methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate (CID 118118151) is methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate?
The canonical SMILES for methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate is COC(=O)CCC1CN(C(C)C)CCO1.
What is the InChIKey of methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate?
The InChIKey is WYSSAEJVPLJUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)12-6-7-15-10(8-12)4-5-11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate?
methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-propan-2-ylmorpholin-2-yl)propanoate is sourced from PubChem (CID 118118151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).