tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate

C11H19NO6 — CID 91987645

IUPACtert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1[C@@H](O)[C@H]2CO[C@H](O2)[C@@H]1O
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-6-7(13)5-4-16-9(17-5)8(6)14/h5-9,13-14H,4H2,1-3H3,(H,12,15)/t5-,6-,7+,8-,9-/m1/s1
InChIKeyFWEPONRAYCDQOX-SYHAXYEDSA-N
MW261.27 g/mol
LogP-0.64
Rot. Bonds1

About tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate

tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 91987645) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate
PubChem CID91987645
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Nametert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1[C@@H](O)[C@H]2CO[C@H](O2)[C@@H]1O
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-6-7(13)5-4-16-9(17-5)8(6)14/h5-9,13-14H,4H2,1-3H3,(H,12,15)/t5-,6-,7+,8-,9-/m1/s1
InChIKeyFWEPONRAYCDQOX-SYHAXYEDSA-N
XLogP-0.64
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate (CID 91987645) is tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1[C@@H](O)[C@H]2CO[C@H](O2)[C@@H]1O.
What is the InChIKey of tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate?
The InChIKey is FWEPONRAYCDQOX-SYHAXYEDSA-N. The full InChI is InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-6-7(13)5-4-16-9(17-5)8(6)14/h5-9,13-14H,4H2,1-3H3,(H,12,15)/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate?
tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 261.27 g/mol, XLogP of -0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R,3R,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 91987645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).