2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid

C8H13NO2 — CID 127019883

IUPAC2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
SMILESO=C(O)CN1CC2CCCC21
InChIInChI=1S/C8H13NO2/c10-8(11)5-9-4-6-2-1-3-7(6)9/h6-7H,1-5H2,(H,10,11)
InChIKeyIBEXYSVEVZDGQL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.56
Rot. Bonds2

About 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid

2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid (PubChem CID 127019883) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid.

Molecular Properties

Compound Name2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
PubChem CID127019883
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
SMILESO=C(O)CN1CC2CCCC21
InChIInChI=1S/C8H13NO2/c10-8(11)5-9-4-6-2-1-3-7(6)9/h6-7H,1-5H2,(H,10,11)
InChIKeyIBEXYSVEVZDGQL-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid?
The IUPAC name of 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid (CID 127019883) is 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid.
What is the SMILES notation for 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid?
The canonical SMILES for 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid is O=C(O)CN1CC2CCCC21.
What is the InChIKey of 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid?
The InChIKey is IBEXYSVEVZDGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)5-9-4-6-2-1-3-7(6)9/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid?
2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid has a molecular weight of 155.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid is sourced from PubChem (CID 127019883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).