tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate

C15H25NO6 — CID 67878687

IUPACtert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=CCO[C@@H]1OC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO6/c1-14(2,3)21-12(17)16-10-8-7-9-19-11(10)20-13(18)22-15(4,5)6/h7-8,10-11H,9H2,1-6H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyIBCPGLDGXXCPBF-GHMZBOCLSA-N
MW315.37 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate

tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate (PubChem CID 67878687) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate
PubChem CID67878687
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Nametert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate
SMILESCC(C)(C)OC(=O)N[C@@H]1C=CCO[C@@H]1OC(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO6/c1-14(2,3)21-12(17)16-10-8-7-9-19-11(10)20-13(18)22-15(4,5)6/h7-8,10-11H,9H2,1-6H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyIBCPGLDGXXCPBF-GHMZBOCLSA-N
XLogP2.74
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate?
The IUPAC name of tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate (CID 67878687) is tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate?
The canonical SMILES for tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate is CC(C)(C)OC(=O)N[C@@H]1C=CCO[C@@H]1OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate?
The InChIKey is IBCPGLDGXXCPBF-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H25NO6/c1-14(2,3)21-12(17)16-10-8-7-9-19-11(10)20-13(18)22-15(4,5)6/h7-8,10-11H,9H2,1-6H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate?
tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate has a molecular weight of 315.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl] carbonate is sourced from PubChem (CID 67878687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).