methyl 3-methyl-3-morpholin-4-ylbutanoate

C10H19NO3 — CID 50905848

IUPACmethyl 3-methyl-3-morpholin-4-ylbutanoate
SMILESCOC(=O)CC(C)(C)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-10(2,8-9(12)13-3)11-4-6-14-7-5-11/h4-8H2,1-3H3
InChIKeyXYPOPHVLEGZIEA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds3

About methyl 3-methyl-3-morpholin-4-ylbutanoate

methyl 3-methyl-3-morpholin-4-ylbutanoate (PubChem CID 50905848) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-methyl-3-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-morpholin-4-ylbutanoate
PubChem CID50905848
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-methyl-3-morpholin-4-ylbutanoate
SMILESCOC(=O)CC(C)(C)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-10(2,8-9(12)13-3)11-4-6-14-7-5-11/h4-8H2,1-3H3
InChIKeyXYPOPHVLEGZIEA-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-morpholin-4-ylbutanoate?
The IUPAC name of methyl 3-methyl-3-morpholin-4-ylbutanoate (CID 50905848) is methyl 3-methyl-3-morpholin-4-ylbutanoate.
What is the SMILES notation for methyl 3-methyl-3-morpholin-4-ylbutanoate?
The canonical SMILES for methyl 3-methyl-3-morpholin-4-ylbutanoate is COC(=O)CC(C)(C)N1CCOCC1.
What is the InChIKey of methyl 3-methyl-3-morpholin-4-ylbutanoate?
The InChIKey is XYPOPHVLEGZIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,8-9(12)13-3)11-4-6-14-7-5-11/h4-8H2,1-3H3.
What are the key properties of methyl 3-methyl-3-morpholin-4-ylbutanoate?
methyl 3-methyl-3-morpholin-4-ylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-morpholin-4-ylbutanoate is sourced from PubChem (CID 50905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).