ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate

C11H21NO4 — CID 82775567

IUPACethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
SMILESCCOC(=O)CC(O)CN1CCOCC1C
InChIInChI=1S/C11H21NO4/c1-3-16-11(14)6-10(13)7-12-4-5-15-8-9(12)2/h9-10,13H,3-8H2,1-2H3
InChIKeyUHPZRTDEADSACQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds5

About ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate

ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate (PubChem CID 82775567) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
PubChem CID82775567
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
SMILESCCOC(=O)CC(O)CN1CCOCC1C
InChIInChI=1S/C11H21NO4/c1-3-16-11(14)6-10(13)7-12-4-5-15-8-9(12)2/h9-10,13H,3-8H2,1-2H3
InChIKeyUHPZRTDEADSACQ-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate (CID 82775567) is ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate is CCOC(=O)CC(O)CN1CCOCC1C.
What is the InChIKey of ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate?
The InChIKey is UHPZRTDEADSACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-16-11(14)6-10(13)7-12-4-5-15-8-9(12)2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate?
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate is sourced from PubChem (CID 82775567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).