dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate

C16H27NO7 — CID 45101910

IUPACdimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate
SMILESCOC(=O)C(C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C16H27NO7/c1-15(2,3)24-14(20)17-10(9-23-16(17,4)5)8-11(12(18)21-6)13(19)22-7/h10-11H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyXGQJOEGMZAAYTL-SNVBAGLBSA-N
MW345.39 g/mol
LogP1.71
Rot. Bonds4

About dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate

dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate (PubChem CID 45101910) has the molecular formula C16H27NO7 and a molecular weight of 345.39 g/mol. Its IUPAC name is dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate
PubChem CID45101910
Molecular FormulaC16H27NO7
Molecular Weight345.39 g/mol
Exact Mass345.18
IUPAC Namedimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate
SMILESCOC(=O)C(C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C16H27NO7/c1-15(2,3)24-14(20)17-10(9-23-16(17,4)5)8-11(12(18)21-6)13(19)22-7/h10-11H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyXGQJOEGMZAAYTL-SNVBAGLBSA-N
XLogP1.71
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate?
The IUPAC name of dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate (CID 45101910) is dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate.
What is the SMILES notation for dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate?
The canonical SMILES for dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate is COC(=O)C(C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate?
The InChIKey is XGQJOEGMZAAYTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H27NO7/c1-15(2,3)24-14(20)17-10(9-23-16(17,4)5)8-11(12(18)21-6)13(19)22-7/h10-11H,8-9H2,1-7H3/t10-/m1/s1.
What are the key properties of dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate?
dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate has a molecular weight of 345.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]propanedioate is sourced from PubChem (CID 45101910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).