[(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate

C19H33NO8 — CID 102435323

About [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate

[(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate (PubChem CID 102435323) has the molecular formula C19H33NO8 and a molecular weight of 403.47 g/mol. Its IUPAC name is [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 102435323
• Molecular Formula: C19H33NO8
• Molecular Weight: 403.47 g/mol
• Exact Mass: 403.22
• IUPAC Name: [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)OC(=O)NC[C@H]1OC(O)[C@]2(COC(=O)C(C)(C)C)OC(C)(C)O[C@H]12
• InChI: InChI=1S/C19H33NO8/c1-16(2,3)13(21)24-10-19-12(26-18(7,8)28-19)11(25-14(19)22)9-20-15(23)27-17(4,5)6/h11-12,14,22H,9-10H2,1-8H3,(H,20,23)/t11-,12-,14?,19-/m1/s1
• InChIKey: YOLFGMXDLJDBRW-DRBZTSIOSA-N
• XLogP: 1.71
• TPSA: 112.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.47
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate (CID 102435323) is [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)OC(=O)NC[C@H]1OC(O)[C@]2(COC(=O)C(C)(C)C)OC(C)(C)O[C@H]12.

What is the InChIKey of [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is YOLFGMXDLJDBRW-DRBZTSIOSA-N. The full InChI is InChI=1S/C19H33NO8/c1-16(2,3)13(21)24-10-19-12(26-18(7,8)28-19)11(25-14(19)22)9-20-15(23)27-17(4,5)6/h11-12,14,22H,9-10H2,1-8H3,(H,20,23)/t11-,12-,14?,19-/m1/s1.

What are the key properties of [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate?

[(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 403.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,6R,6aR)-4-hydroxy-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 102435323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).