6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C8H13FN2O2 — CID 146464364

IUPAC6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNCCC1(F)C2CN(C(=O)O)CC21
InChIInChI=1S/C8H13FN2O2/c9-8(1-2-10)5-3-11(7(12)13)4-6(5)8/h5-6H,1-4,10H2,(H,12,13)
InChIKeyBHFSXMRHEBQBGM-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.28
Rot. Bonds2

About 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 146464364) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID146464364
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESNCCC1(F)C2CN(C(=O)O)CC21
InChIInChI=1S/C8H13FN2O2/c9-8(1-2-10)5-3-11(7(12)13)4-6(5)8/h5-6H,1-4,10H2,(H,12,13)
InChIKeyBHFSXMRHEBQBGM-UHFFFAOYSA-N
XLogP0.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 146464364) is 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is NCCC1(F)C2CN(C(=O)O)CC21.
What is the InChIKey of 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is BHFSXMRHEBQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c9-8(1-2-10)5-3-11(7(12)13)4-6(5)8/h5-6H,1-4,10H2,(H,12,13).
What are the key properties of 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 188.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-6-fluoro-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 146464364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).