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

C12H23NO3 — CID 21304434

IUPACethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate
SMILESCCOC(=O)C(C)(CC)CN1CCOCC1
InChIInChI=1S/C12H23NO3/c1-4-12(3,11(14)16-5-2)10-13-6-8-15-9-7-13/h4-10H2,1-3H3
InChIKeySMALQFNKCXDMPG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.30
Rot. Bonds5

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

ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate (PubChem CID 21304434) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate
PubChem CID21304434
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate
SMILESCCOC(=O)C(C)(CC)CN1CCOCC1
InChIInChI=1S/C12H23NO3/c1-4-12(3,11(14)16-5-2)10-13-6-8-15-9-7-13/h4-10H2,1-3H3
InChIKeySMALQFNKCXDMPG-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate?
The IUPAC name of ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate (CID 21304434) is ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate.
What is the SMILES notation for ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate?
The canonical SMILES for ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate is CCOC(=O)C(C)(CC)CN1CCOCC1.
What is the InChIKey of ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate?
The InChIKey is SMALQFNKCXDMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-12(3,11(14)16-5-2)10-13-6-8-15-9-7-13/h4-10H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate?
ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(morpholin-4-ylmethyl)butanoate is sourced from PubChem (CID 21304434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).