3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one

C13H21NO6 — CID 174154843

IUPAC3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1OC[C@@H](N2CCOC2=O)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C13H21NO6/c1-13(2)19-10-8(14-4-5-17-12(14)15)6-18-9(7-16-3)11(10)20-13/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyVEACCOXCVFABTI-DBIOUOCHSA-N
MW287.31 g/mol
LogP0.37
Rot. Bonds3

About 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one

3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one (PubChem CID 174154843) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one
PubChem CID174154843
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1OC[C@@H](N2CCOC2=O)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C13H21NO6/c1-13(2)19-10-8(14-4-5-17-12(14)15)6-18-9(7-16-3)11(10)20-13/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1
InChIKeyVEACCOXCVFABTI-DBIOUOCHSA-N
XLogP0.37
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one (CID 174154843) is 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one is COC[C@H]1OC[C@@H](N2CCOC2=O)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one?
The InChIKey is VEACCOXCVFABTI-DBIOUOCHSA-N. The full InChI is InChI=1S/C13H21NO6/c1-13(2)19-10-8(14-4-5-17-12(14)15)6-18-9(7-16-3)11(10)20-13/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1.
What are the key properties of 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one?
3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one has a molecular weight of 287.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,4R,7R,7aR)-4-(methoxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 174154843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).