ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate

C10H19NO3 — CID 155935691

IUPACethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate
SMILESCCOC(=O)[C@@H]1N[C@H](CC)CO[C@H]1C
InChIInChI=1S/C10H19NO3/c1-4-8-6-14-7(3)9(11-8)10(12)13-5-2/h7-9,11H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyALVJZDBBQDSACG-DJLDLDEBSA-N
MW201.27 g/mol
LogP0.70
Rot. Bonds3

About ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate

ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate (PubChem CID 155935691) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate
PubChem CID155935691
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate
SMILESCCOC(=O)[C@@H]1N[C@H](CC)CO[C@H]1C
InChIInChI=1S/C10H19NO3/c1-4-8-6-14-7(3)9(11-8)10(12)13-5-2/h7-9,11H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKeyALVJZDBBQDSACG-DJLDLDEBSA-N
XLogP0.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate?
The IUPAC name of ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate (CID 155935691) is ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate.
What is the SMILES notation for ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate?
The canonical SMILES for ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate is CCOC(=O)[C@@H]1N[C@H](CC)CO[C@H]1C.
What is the InChIKey of ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate?
The InChIKey is ALVJZDBBQDSACG-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-8-6-14-7(3)9(11-8)10(12)13-5-2/h7-9,11H,4-6H2,1-3H3/t7-,8+,9+/m0/s1.
What are the key properties of ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate?
ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate is sourced from PubChem (CID 155935691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).