(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

C8H11NO2 — CID 153306746

IUPAC(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESC=C[C@@]12C[C@@H](C(=O)O)N[C@@H]1C2
InChIInChI=1S/C8H11NO2/c1-2-8-3-5(7(10)11)9-6(8)4-8/h2,5-6,9H,1,3-4H2,(H,10,11)/t5-,6+,8-/m0/s1
InChIKeyJPEYXSGVWBYSHV-BBVRLYRLSA-N
MW153.18 g/mol
LogP0.38
Rot. Bonds2

About (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 153306746) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID153306746
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESC=C[C@@]12C[C@@H](C(=O)O)N[C@@H]1C2
InChIInChI=1S/C8H11NO2/c1-2-8-3-5(7(10)11)9-6(8)4-8/h2,5-6,9H,1,3-4H2,(H,10,11)/t5-,6+,8-/m0/s1
InChIKeyJPEYXSGVWBYSHV-BBVRLYRLSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 153306746) is (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is C=C[C@@]12C[C@@H](C(=O)O)N[C@@H]1C2.
What is the InChIKey of (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is JPEYXSGVWBYSHV-BBVRLYRLSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-8-3-5(7(10)11)9-6(8)4-8/h2,5-6,9H,1,3-4H2,(H,10,11)/t5-,6+,8-/m0/s1.
What are the key properties of (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 153306746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).