methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate

C9H17NO3 — CID 127003930

IUPACmethyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
SMILESCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C9H17NO3/c1-4-10-5-7(2)13-8(6-10)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKWPSPHNJKGNMOK-HTQZYQBOSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds2

About methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate

methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate (PubChem CID 127003930) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
PubChem CID127003930
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
SMILESCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1
InChIInChI=1S/C9H17NO3/c1-4-10-5-7(2)13-8(6-10)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKWPSPHNJKGNMOK-HTQZYQBOSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate (CID 127003930) is methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate is CCN1C[C@@H](C)O[C@@H](C(=O)OC)C1.
What is the InChIKey of methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate?
The InChIKey is KWPSPHNJKGNMOK-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-10-5-7(2)13-8(6-10)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate?
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 127003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).