3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid

C10H17NO2 — CID 127009430

IUPAC3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid
SMILESO=C(O)CCN1CC2CCCCC21
InChIInChI=1S/C10H17NO2/c12-10(13)5-6-11-7-8-3-1-2-4-9(8)11/h8-9H,1-7H2,(H,12,13)
InChIKeyXQOHFTNJMAEAIC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds3

About 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid

3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid (PubChem CID 127009430) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid
PubChem CID127009430
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid
SMILESO=C(O)CCN1CC2CCCCC21
InChIInChI=1S/C10H17NO2/c12-10(13)5-6-11-7-8-3-1-2-4-9(8)11/h8-9H,1-7H2,(H,12,13)
InChIKeyXQOHFTNJMAEAIC-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid?
The IUPAC name of 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid (CID 127009430) is 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid.
What is the SMILES notation for 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid?
The canonical SMILES for 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid is O=C(O)CCN1CC2CCCCC21.
What is the InChIKey of 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid?
The InChIKey is XQOHFTNJMAEAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)5-6-11-7-8-3-1-2-4-9(8)11/h8-9H,1-7H2,(H,12,13).
What are the key properties of 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid?
3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid is sourced from PubChem (CID 127009430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).