[1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate

C22H23NO5 — CID 87402250

IUPAC[1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate
SMILESCOC(C(CC1c2ccccc2-c2ccccc21)OC(N)=O)[C@H]1OC[C@H]2O[C@@H]12
InChIInChI=1S/C22H23NO5/c1-25-19(21-20-18(27-20)11-26-21)17(28-22(23)24)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-21H,10-11H2,1H3,(H2,23,24)/t17?,18-,19?,20-,21-/m1/s1
InChIKeyJQWDGYJEJAAOAT-SSXNTNPLSA-N
MW381.43 g/mol
LogP2.83
Rot. Bonds6

About [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate

[1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate (PubChem CID 87402250) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate
PubChem CID87402250
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name[1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate
SMILESCOC(C(CC1c2ccccc2-c2ccccc21)OC(N)=O)[C@H]1OC[C@H]2O[C@@H]12
InChIInChI=1S/C22H23NO5/c1-25-19(21-20-18(27-20)11-26-21)17(28-22(23)24)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-21H,10-11H2,1H3,(H2,23,24)/t17?,18-,19?,20-,21-/m1/s1
InChIKeyJQWDGYJEJAAOAT-SSXNTNPLSA-N
XLogP2.83
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate?
The IUPAC name of [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate (CID 87402250) is [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate.
What is the SMILES notation for [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate?
The canonical SMILES for [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate is COC(C(CC1c2ccccc2-c2ccccc21)OC(N)=O)[C@H]1OC[C@H]2O[C@@H]12.
What is the InChIKey of [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate?
The InChIKey is JQWDGYJEJAAOAT-SSXNTNPLSA-N. The full InChI is InChI=1S/C22H23NO5/c1-25-19(21-20-18(27-20)11-26-21)17(28-22(23)24)10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-21H,10-11H2,1H3,(H2,23,24)/t17?,18-,19?,20-,21-/m1/s1.
What are the key properties of [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate?
[1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate has a molecular weight of 381.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-3-(9H-fluoren-9-yl)-1-methoxypropan-2-yl] carbamate is sourced from PubChem (CID 87402250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).