tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate

C12H23NO3 — CID 135742569

IUPACtert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
SMILESCC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)O1
InChIInChI=1S/C12H23NO3/c1-6-10-8-13(7-9(2)15-10)11(14)16-12(3,4)5/h9-10H,6-8H2,1-5H3/t9?,10-/m0/s1
InChIKeyVCJKASZYBALQRT-AXDSSHIGSA-N
MW229.32 g/mol
LogP2.42
Rot. Bonds1

About tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate

tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate (PubChem CID 135742569) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
PubChem CID135742569
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
SMILESCC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)O1
InChIInChI=1S/C12H23NO3/c1-6-10-8-13(7-9(2)15-10)11(14)16-12(3,4)5/h9-10H,6-8H2,1-5H3/t9?,10-/m0/s1
InChIKeyVCJKASZYBALQRT-AXDSSHIGSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
CID 177184014
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate
CID 155289845
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl (6R)-2-methyl-6-[(4-methylphenyl)sulfonyloxymethyl]morpholine-4-carboxylate
CID 91538126
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 58557112
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119751448
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate (CID 135742569) is tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate is CC[C@H]1CN(C(=O)OC(C)(C)C)CC(C)O1.
What is the InChIKey of tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate?
The InChIKey is VCJKASZYBALQRT-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-10-8-13(7-9(2)15-10)11(14)16-12(3,4)5/h9-10H,6-8H2,1-5H3/t9?,10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate?
tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate is sourced from PubChem (CID 135742569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).