6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C12H21NO5 — CID 71742817

IUPAC6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)OC(C)(C)C1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyUVCRSTLUNAIJQQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.49
Rot. Bonds1

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

6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 71742817) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID71742817
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)OC(C)(C)C1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15)
InChIKeyUVCRSTLUNAIJQQ-UHFFFAOYSA-N
XLogP1.49
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 71742817) is 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(=O)O)OC(C)(C)C1.
What is the InChIKey of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is UVCRSTLUNAIJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-8(9(14)15)17-12(4,5)7-13/h8H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 71742817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).