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

C14H26N2O6 — CID 167524325

IUPACtert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1OC(O)[C@H](N)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C14H26N2O6/c1-13(2,3)22-12(18)16-6-7-9-10(8(15)11(17)19-7)21-14(4,5)20-9/h7-11,17H,6,15H2,1-5H3,(H,16,18)/t7-,8-,9+,10-,11?/m1/s1
InChIKeyJZWXMSDAJTZLRW-YBTJCZCISA-N
MW318.37 g/mol
LogP0.08
Rot. Bonds2

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

tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate (PubChem CID 167524325) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
PubChem CID167524325
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Nametert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1OC(O)[C@H](N)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C14H26N2O6/c1-13(2,3)22-12(18)16-6-7-9-10(8(15)11(17)19-7)21-14(4,5)20-9/h7-11,17H,6,15H2,1-5H3,(H,16,18)/t7-,8-,9+,10-,11?/m1/s1
InChIKeyJZWXMSDAJTZLRW-YBTJCZCISA-N
XLogP0.08
TPSA112.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate (CID 167524325) is tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1OC(O)[C@H](N)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The InChIKey is JZWXMSDAJTZLRW-YBTJCZCISA-N. The full InChI is InChI=1S/C14H26N2O6/c1-13(2,3)22-12(18)16-6-7-9-10(8(15)11(17)19-7)21-14(4,5)20-9/h7-11,17H,6,15H2,1-5H3,(H,16,18)/t7-,8-,9+,10-,11?/m1/s1.
What are the key properties of tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate is sourced from PubChem (CID 167524325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).