3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid

C9H15NO2 — CID 84653490

IUPAC3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid
SMILESO=C(O)CCC1[C@H]2CCCN[C@@H]12
InChIInChI=1S/C9H15NO2/c11-8(12)4-3-7-6-2-1-5-10-9(6)7/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7?,9-/m1/s1
InChIKeyQPMRFMWGAMPLDS-HWABHILUSA-N
MW169.22 g/mol
LogP0.85
Rot. Bonds3

About 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid

3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid (PubChem CID 84653490) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid
PubChem CID84653490
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid
SMILESO=C(O)CCC1[C@H]2CCCN[C@@H]12
InChIInChI=1S/C9H15NO2/c11-8(12)4-3-7-6-2-1-5-10-9(6)7/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7?,9-/m1/s1
InChIKeyQPMRFMWGAMPLDS-HWABHILUSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid?
The IUPAC name of 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid (CID 84653490) is 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid.
What is the SMILES notation for 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid?
The canonical SMILES for 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid is O=C(O)CCC1[C@H]2CCCN[C@@H]12.
What is the InChIKey of 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid?
The InChIKey is QPMRFMWGAMPLDS-HWABHILUSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8(12)4-3-7-6-2-1-5-10-9(6)7/h6-7,9-10H,1-5H2,(H,11,12)/t6-,7?,9-/m1/s1.
What are the key properties of 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid?
3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid has a molecular weight of 169.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid is sourced from PubChem (CID 84653490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).