methyl 2-(morpholin-4-ylmethyl)butanoate

C10H19NO3 — CID 117242059

IUPACmethyl 2-(morpholin-4-ylmethyl)butanoate
SMILESCCC(CN1CCOCC1)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-3-9(10(12)13-2)8-11-4-6-14-7-5-11/h9H,3-8H2,1-2H3
InChIKeyZVEQEZQIOBESOZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.52
Rot. Bonds4

About methyl 2-(morpholin-4-ylmethyl)butanoate

methyl 2-(morpholin-4-ylmethyl)butanoate (PubChem CID 117242059) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(morpholin-4-ylmethyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(morpholin-4-ylmethyl)butanoate
PubChem CID117242059
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(morpholin-4-ylmethyl)butanoate
SMILESCCC(CN1CCOCC1)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-3-9(10(12)13-2)8-11-4-6-14-7-5-11/h9H,3-8H2,1-2H3
InChIKeyZVEQEZQIOBESOZ-UHFFFAOYSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(morpholin-4-ylmethyl)butanoate?
The IUPAC name of methyl 2-(morpholin-4-ylmethyl)butanoate (CID 117242059) is methyl 2-(morpholin-4-ylmethyl)butanoate.
What is the SMILES notation for methyl 2-(morpholin-4-ylmethyl)butanoate?
The canonical SMILES for methyl 2-(morpholin-4-ylmethyl)butanoate is CCC(CN1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-(morpholin-4-ylmethyl)butanoate?
The InChIKey is ZVEQEZQIOBESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(10(12)13-2)8-11-4-6-14-7-5-11/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-(morpholin-4-ylmethyl)butanoate?
methyl 2-(morpholin-4-ylmethyl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(morpholin-4-ylmethyl)butanoate is sourced from PubChem (CID 117242059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).