3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one

C19H31NO7 — CID 164889174

IUPAC3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CCC(=O)N1CCOCC1)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H31NO7/c1-18(2)23-11-13(25-18)15-17-16(26-19(3,4)27-17)12(24-15)5-6-14(21)20-7-9-22-10-8-20/h12-13,15-17H,5-11H2,1-4H3/t12-,13-,15-,16-,17+/m1/s1
InChIKeyKCNZBUCLIXWAQQ-HSMRXVHUSA-N
MW385.46 g/mol
LogP1.06
Rot. Bonds4

About 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one

3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 164889174) has the molecular formula C19H31NO7 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID164889174
Molecular FormulaC19H31NO7
Molecular Weight385.46 g/mol
Exact Mass385.21
IUPAC Name3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CCC(=O)N1CCOCC1)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C19H31NO7/c1-18(2)23-11-13(25-18)15-17-16(26-19(3,4)27-17)12(24-15)5-6-14(21)20-7-9-22-10-8-20/h12-13,15-17H,5-11H2,1-4H3/t12-,13-,15-,16-,17+/m1/s1
InChIKeyKCNZBUCLIXWAQQ-HSMRXVHUSA-N
XLogP1.06
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one (CID 164889174) is 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CCC(=O)N1CCOCC1)O[C@@H]2[C@H]1COC(C)(C)O1.
What is the InChIKey of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KCNZBUCLIXWAQQ-HSMRXVHUSA-N. The full InChI is InChI=1S/C19H31NO7/c1-18(2)23-11-13(25-18)15-17-16(26-19(3,4)27-17)12(24-15)5-6-14(21)20-7-9-22-10-8-20/h12-13,15-17H,5-11H2,1-4H3/t12-,13-,15-,16-,17+/m1/s1.
What are the key properties of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one?
3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 385.46 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 164889174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).