(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C13H22N2O6 — CID 118306516

IUPAC(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)O1
InChIInChI=1S/C13H22N2O6/c1-13(2,3)21-12(19)15-6-8(10(16)14(4)5)20-9(7-15)11(17)18/h8-9H,6-7H2,1-5H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyGCXCZGAOCYLWPH-DTWKUNHWSA-N
MW302.33 g/mol
LogP0.16
Rot. Bonds2

About (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 118306516) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID118306516
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)O1
InChIInChI=1S/C13H22N2O6/c1-13(2,3)21-12(19)15-6-8(10(16)14(4)5)20-9(7-15)11(17)18/h8-9H,6-7H2,1-5H3,(H,17,18)/t8-,9+/m0/s1
InChIKeyGCXCZGAOCYLWPH-DTWKUNHWSA-N
XLogP0.16
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl 6-(dimethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69499244
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (2R,6R)-2-carbamoyl-6-methylmorpholine-4-carboxylate
CID 177184014
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
4-hydroxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 70397122
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
(2S)-6-hydroxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-2-carboxylic acid
CID 176825504
tert-butyl (2S,6R)-2-(2-nitrosopropan-2-yl)-6-(oxocarbamoyl)morpholine-4-carboxylate
CID 134219912
tert-butyl (3R,4R)-3,4-bis[ethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 75447651
(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 118306516) is (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C(=O)O)O1.
What is the InChIKey of (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is GCXCZGAOCYLWPH-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-13(2,3)21-12(19)15-6-8(10(16)14(4)5)20-9(7-15)11(17)18/h8-9H,6-7H2,1-5H3,(H,17,18)/t8-,9+/m0/s1.
What are the key properties of (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
(2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-(dimethylcarbamoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 118306516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).