methyl 3-ethylmorpholine-3-carboxylate

C8H15NO3 — CID 67122020

IUPACmethyl 3-ethylmorpholine-3-carboxylate
SMILESCCC1(C(=O)OC)COCCN1
InChIInChI=1S/C8H15NO3/c1-3-8(7(10)11-2)6-12-5-4-9-8/h9H,3-6H2,1-2H3
InChIKeyDCZXCIQBNFFBOE-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds2

About methyl 3-ethylmorpholine-3-carboxylate

methyl 3-ethylmorpholine-3-carboxylate (PubChem CID 67122020) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-ethylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethylmorpholine-3-carboxylate
PubChem CID67122020
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-ethylmorpholine-3-carboxylate
SMILESCCC1(C(=O)OC)COCCN1
InChIInChI=1S/C8H15NO3/c1-3-8(7(10)11-2)6-12-5-4-9-8/h9H,3-6H2,1-2H3
InChIKeyDCZXCIQBNFFBOE-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylmorpholine-3-carboxylate?
The IUPAC name of methyl 3-ethylmorpholine-3-carboxylate (CID 67122020) is methyl 3-ethylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 3-ethylmorpholine-3-carboxylate?
The canonical SMILES for methyl 3-ethylmorpholine-3-carboxylate is CCC1(C(=O)OC)COCCN1.
What is the InChIKey of methyl 3-ethylmorpholine-3-carboxylate?
The InChIKey is DCZXCIQBNFFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-8(7(10)11-2)6-12-5-4-9-8/h9H,3-6H2,1-2H3.
What are the key properties of methyl 3-ethylmorpholine-3-carboxylate?
methyl 3-ethylmorpholine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylmorpholine-3-carboxylate is sourced from PubChem (CID 67122020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).