methyl 2-methyl-3-morpholin-4-ylpentanoate

C11H21NO3 — CID 50905634

IUPACmethyl 2-methyl-3-morpholin-4-ylpentanoate
SMILESCCC(C(C)C(=O)OC)N1CCOCC1
InChIInChI=1S/C11H21NO3/c1-4-10(9(2)11(13)14-3)12-5-7-15-8-6-12/h9-10H,4-8H2,1-3H3
InChIKeyPAMPAYZJAZOHQQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-methyl-3-morpholin-4-ylpentanoate

methyl 2-methyl-3-morpholin-4-ylpentanoate (PubChem CID 50905634) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-methyl-3-morpholin-4-ylpentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-morpholin-4-ylpentanoate
PubChem CID50905634
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-methyl-3-morpholin-4-ylpentanoate
SMILESCCC(C(C)C(=O)OC)N1CCOCC1
InChIInChI=1S/C11H21NO3/c1-4-10(9(2)11(13)14-3)12-5-7-15-8-6-12/h9-10H,4-8H2,1-3H3
InChIKeyPAMPAYZJAZOHQQ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-morpholin-4-ylpentanoate?
The IUPAC name of methyl 2-methyl-3-morpholin-4-ylpentanoate (CID 50905634) is methyl 2-methyl-3-morpholin-4-ylpentanoate.
What is the SMILES notation for methyl 2-methyl-3-morpholin-4-ylpentanoate?
The canonical SMILES for methyl 2-methyl-3-morpholin-4-ylpentanoate is CCC(C(C)C(=O)OC)N1CCOCC1.
What is the InChIKey of methyl 2-methyl-3-morpholin-4-ylpentanoate?
The InChIKey is PAMPAYZJAZOHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10(9(2)11(13)14-3)12-5-7-15-8-6-12/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-methyl-3-morpholin-4-ylpentanoate?
methyl 2-methyl-3-morpholin-4-ylpentanoate has a molecular weight of 215.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-morpholin-4-ylpentanoate is sourced from PubChem (CID 50905634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).