tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate

C11H20N2O4 — CID 177184014

IUPACtert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(N)=O)O1
InChIInChI=1S/C11H20N2O4/c1-7-5-13(6-8(16-7)9(12)14)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H2,12,14)/t7-,8-/m1/s1
InChIKeyHGRCKEIBOYKMNA-HTQZYQBOSA-N
MW244.29 g/mol
LogP0.50
Rot. Bonds1

About tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate

tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate (PubChem CID 177184014) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
PubChem CID177184014
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(N)=O)O1
InChIInChI=1S/C11H20N2O4/c1-7-5-13(6-8(16-7)9(12)14)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H2,12,14)/t7-,8-/m1/s1
InChIKeyHGRCKEIBOYKMNA-HTQZYQBOSA-N
XLogP0.50
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (6S)-2-formyl-6-methylmorpholine-4-carboxylate
CID 155289845
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
tert-butyl (2S)-2-ethyl-6-methylmorpholine-4-carboxylate
CID 135742569
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 58477127
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
acetamide;tert-butyl (1R,5S)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 143874394
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl (3R,4S)-3-methoxy-4-methylpyrrolidine-1-carboxylate;methane
CID 163714648

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate (CID 177184014) is tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate is C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(N)=O)O1.
What is the InChIKey of tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate?
The InChIKey is HGRCKEIBOYKMNA-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-5-13(6-8(16-7)9(12)14)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H2,12,14)/t7-,8-/m1/s1.
What are the key properties of tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate?
tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate is sourced from PubChem (CID 177184014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).