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

C15H28N2O6 — CID 174154680

IUPACtert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@]1(C)OC(O)[C@H](N)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C15H28N2O6/c1-13(2,3)23-12(19)17-7-15(6)10-9(8(16)11(18)22-15)20-14(4,5)21-10/h8-11,18H,7,16H2,1-6H3,(H,17,19)/t8-,9-,10-,11?,15-/m1/s1
InChIKeyISWXFOUWQUJUNL-ZZGYQQLZSA-N
MW332.40 g/mol
LogP0.47
Rot. Bonds2

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

tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate (PubChem CID 174154680) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
PubChem CID174154680
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Nametert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@]1(C)OC(O)[C@H](N)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C15H28N2O6/c1-13(2,3)23-12(19)17-7-15(6)10-9(8(16)11(18)22-15)20-14(4,5)21-10/h8-11,18H,7,16H2,1-6H3,(H,17,19)/t8-,9-,10-,11?,15-/m1/s1
InChIKeyISWXFOUWQUJUNL-ZZGYQQLZSA-N
XLogP0.47
TPSA112.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[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-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate (CID 174154680) is tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@]1(C)OC(O)[C@H](N)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
The InChIKey is ISWXFOUWQUJUNL-ZZGYQQLZSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-13(2,3)23-12(19)17-7-15(6)10-9(8(16)11(18)22-15)20-14(4,5)21-10/h8-11,18H,7,16H2,1-6H3,(H,17,19)/t8-,9-,10-,11?,15-/m1/s1.
What are the key properties of tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate?
tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate has a molecular weight of 332.40 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3aR,4R,7R,7aR)-7-amino-6-hydroxy-2,2,4-trimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate is sourced from PubChem (CID 174154680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).