N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide

C14H23NO6 — CID 25268200

IUPACN-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide
SMILESCO[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C14H23NO6/c1-14(2)20-10-8(6-15-12(17)7-4-5-7)19-13(18-3)9(16)11(10)21-14/h7-11,13,16H,4-6H2,1-3H3,(H,15,17)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyDWLZZTREPUIKAM-BZNQNGANSA-N
MW301.34 g/mol
LogP-0.24
Rot. Bonds4

About N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide

N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 25268200) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide
PubChem CID25268200
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC NameN-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide
SMILESCO[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C14H23NO6/c1-14(2)20-10-8(6-15-12(17)7-4-5-7)19-13(18-3)9(16)11(10)21-14/h7-11,13,16H,4-6H2,1-3H3,(H,15,17)/t8-,9-,10+,11-,13-/m1/s1
InChIKeyDWLZZTREPUIKAM-BZNQNGANSA-N
XLogP-0.24
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide (CID 25268200) is N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide is CO[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O.
What is the InChIKey of N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is DWLZZTREPUIKAM-BZNQNGANSA-N. The full InChI is InChI=1S/C14H23NO6/c1-14(2)20-10-8(6-15-12(17)7-4-5-7)19-13(18-3)9(16)11(10)21-14/h7-11,13,16H,4-6H2,1-3H3,(H,15,17)/t8-,9-,10+,11-,13-/m1/s1.
What are the key properties of N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide?
N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 301.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 25268200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).