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

C20H40N2O6Si — CID 174154668

IUPACtert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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[Si](C)(C)C(C)(C)C)[C@H](N)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C20H40N2O6Si/c1-18(2,3)27-17(23)22-11-12-14-15(26-20(7,8)25-14)13(21)16(24-12)28-29(9,10)19(4,5)6/h12-16H,11,21H2,1-10H3,(H,22,23)/t12-,13-,14+,15-,16?/m1/s1
InChIKeyBMGNJXWUGOFSPV-IWQYDBTJSA-N
MW432.63 g/mol
LogP3.11
Rot. Bonds4

About tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate (PubChem CID 174154668) has the molecular formula C20H40N2O6Si and a molecular weight of 432.63 g/mol. Its IUPAC name is tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
PubChem CID174154668
Molecular FormulaC20H40N2O6Si
Molecular Weight432.63 g/mol
Exact Mass432.27
IUPAC Nametert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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[Si](C)(C)C(C)(C)C)[C@H](N)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C20H40N2O6Si/c1-18(2,3)27-17(23)22-11-12-14-15(26-20(7,8)25-14)13(21)16(24-12)28-29(9,10)19(4,5)6/h12-16H,11,21H2,1-10H3,(H,22,23)/t12-,13-,14+,15-,16?/m1/s1
InChIKeyBMGNJXWUGOFSPV-IWQYDBTJSA-N
XLogP3.11
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate (CID 174154668) is tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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-[tert-butyl(dimethyl)silyl]oxy-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-[tert-butyl(dimethyl)silyl]oxy-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[Si](C)(C)C(C)(C)C)[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-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The InChIKey is BMGNJXWUGOFSPV-IWQYDBTJSA-N. The full InChI is InChI=1S/C20H40N2O6Si/c1-18(2,3)27-17(23)22-11-12-14-15(26-20(7,8)25-14)13(21)16(24-12)28-29(9,10)19(4,5)6/h12-16H,11,21H2,1-10H3,(H,22,23)/t12-,13-,14+,15-,16?/m1/s1.
What are the key properties of tert-butyl N-[[(3aS,4R,7R,7aR)-7-amino-6-[tert-butyl(dimethyl)silyl]oxy-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-[tert-butyl(dimethyl)silyl]oxy-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 432.63 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 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-[tert-butyl(dimethyl)silyl]oxy-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 174154668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).