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

Related Compounds

3-(azepan-2-yl)propanoic acid
CID 69475849
3-imidazolidin-2-ylpropanoic acid
CID 23364926
2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
CID 96627378
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
7-methyl-2-azabicyclo[4.1.0]heptane
CID 117045891
8-(2-carboxyethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115035570
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine
CID 84648563
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503

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).