methyl 2-morpholin-4-ylpropanoate

C8H15NO3 — CID 15164418

IUPACmethyl 2-morpholin-4-ylpropanoate
SMILESCOC(=O)C(C)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3
InChIKeyYVMAGSKBVARACT-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.12
Rot. Bonds2

About methyl 2-morpholin-4-ylpropanoate

methyl 2-morpholin-4-ylpropanoate (PubChem CID 15164418) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-ylpropanoate
PubChem CID15164418
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-morpholin-4-ylpropanoate
SMILESCOC(=O)C(C)N1CCOCC1
InChIInChI=1S/C8H15NO3/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3
InChIKeyYVMAGSKBVARACT-UHFFFAOYSA-N
XLogP-0.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.12
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-ylpropanoate?
The IUPAC name of methyl 2-morpholin-4-ylpropanoate (CID 15164418) is methyl 2-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 2-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 2-morpholin-4-ylpropanoate is COC(=O)C(C)N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-ylpropanoate?
The InChIKey is YVMAGSKBVARACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-morpholin-4-ylpropanoate?
methyl 2-morpholin-4-ylpropanoate has a molecular weight of 173.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-ylpropanoate is sourced from PubChem (CID 15164418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).