2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid

C12H21NO6 — CID 58906675

IUPAC2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)COC(C)(C)OC1
InChIInChI=1S/C12H21NO6/c1-10(2,3)19-9(16)13-12(8(14)15)6-17-11(4,5)18-7-12/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyGLZDHEFXRNOEEY-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.12
Rot. Bonds2

About 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid

2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid (PubChem CID 58906675) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid
PubChem CID58906675
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)COC(C)(C)OC1
InChIInChI=1S/C12H21NO6/c1-10(2,3)19-9(16)13-12(8(14)15)6-17-11(4,5)18-7-12/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyGLZDHEFXRNOEEY-UHFFFAOYSA-N
XLogP1.12
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid?
The IUPAC name of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid (CID 58906675) is 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid?
The InChIKey is GLZDHEFXRNOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-10(2,3)19-9(16)13-12(8(14)15)6-17-11(4,5)18-7-12/h6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid?
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid is sourced from PubChem (CID 58906675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).