methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate

C14H25NO7 — CID 121404068

IUPACmethyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1OC(CNC(=O)OC(C)(C)C)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C14H25NO7/c1-14(2,3)22-13(17)15-7-8-9(18-4)10(19-5)11(21-8)12(16)20-6/h8-11H,7H2,1-6H3,(H,15,17)/t8?,9-,10+,11+/m1/s1
InChIKeyGSKDEGYMZAXSTN-WVXRZKCLSA-N
MW319.35 g/mol
LogP0.48
Rot. Bonds5

About methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate

methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate (PubChem CID 121404068) has the molecular formula C14H25NO7 and a molecular weight of 319.35 g/mol. Its IUPAC name is methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate
PubChem CID121404068
Molecular FormulaC14H25NO7
Molecular Weight319.35 g/mol
Exact Mass319.16
IUPAC Namemethyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate
SMILESCOC(=O)[C@H]1OC(CNC(=O)OC(C)(C)C)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C14H25NO7/c1-14(2,3)22-13(17)15-7-8-9(18-4)10(19-5)11(21-8)12(16)20-6/h8-11H,7H2,1-6H3,(H,15,17)/t8?,9-,10+,11+/m1/s1
InChIKeyGSKDEGYMZAXSTN-WVXRZKCLSA-N
XLogP0.48
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate?
The IUPAC name of methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate (CID 121404068) is methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate is COC(=O)[C@H]1OC(CNC(=O)OC(C)(C)C)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate?
The InChIKey is GSKDEGYMZAXSTN-WVXRZKCLSA-N. The full InChI is InChI=1S/C14H25NO7/c1-14(2,3)22-13(17)15-7-8-9(18-4)10(19-5)11(21-8)12(16)20-6/h8-11H,7H2,1-6H3,(H,15,17)/t8?,9-,10+,11+/m1/s1.
What are the key properties of methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate?
methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate has a molecular weight of 319.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,4R)-3,4-dimethoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylate is sourced from PubChem (CID 121404068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).