[(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate

C8H13NO5 — CID 87480545

IUPAC[(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate
SMILESCO[C@H](COC(N)=O)[C@H]1OC[C@H]2O[C@H]12
InChIInChI=1S/C8H13NO5/c1-11-4(2-13-8(9)10)6-7-5(14-7)3-12-6/h4-7H,2-3H2,1H3,(H2,9,10)/t4-,5-,6-,7+/m1/s1
InChIKeyLPHJNTDCDYQIEE-GBNDHIKLSA-N
MW203.19 g/mol
LogP-0.74
Rot. Bonds4

About [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate

[(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate (PubChem CID 87480545) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate
PubChem CID87480545
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name[(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate
SMILESCO[C@H](COC(N)=O)[C@H]1OC[C@H]2O[C@H]12
InChIInChI=1S/C8H13NO5/c1-11-4(2-13-8(9)10)6-7-5(14-7)3-12-6/h4-7H,2-3H2,1H3,(H2,9,10)/t4-,5-,6-,7+/m1/s1
InChIKeyLPHJNTDCDYQIEE-GBNDHIKLSA-N
XLogP-0.74
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.74
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 [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate?
The IUPAC name of [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate (CID 87480545) is [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate.
What is the SMILES notation for [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate?
The canonical SMILES for [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate is CO[C@H](COC(N)=O)[C@H]1OC[C@H]2O[C@H]12.
What is the InChIKey of [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate?
The InChIKey is LPHJNTDCDYQIEE-GBNDHIKLSA-N. The full InChI is InChI=1S/C8H13NO5/c1-11-4(2-13-8(9)10)6-7-5(14-7)3-12-6/h4-7H,2-3H2,1H3,(H2,9,10)/t4-,5-,6-,7+/m1/s1.
What are the key properties of [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate?
[(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate has a molecular weight of 203.19 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-methoxyethyl] carbamate is sourced from PubChem (CID 87480545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).