3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 126796957

IUPAC3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1C2CCNCC21
InChIInChI=1S/C7H11NO2.ClH/c9-7(10)6-4-1-2-8-3-5(4)6;/h4-6,8H,1-3H2,(H,9,10);1H
InChIKeyYCQIQKLAOXOHRT-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.35
Rot. Bonds1

About 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride

3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride (PubChem CID 126796957) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride
PubChem CID126796957
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1C2CCNCC21
InChIInChI=1S/C7H11NO2.ClH/c9-7(10)6-4-1-2-8-3-5(4)6;/h4-6,8H,1-3H2,(H,9,10);1H
InChIKeyYCQIQKLAOXOHRT-UHFFFAOYSA-N
XLogP0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride 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

2-(Piperidin-3-yl)acetic acid hydrochloride
CID 12514713
rac-(1R,5S,6R)-3-azabicyclo(3.1.0)hexane-6-carboxylic acid hydrochloride
CID 43810929
6-Azaspiro[2.5]octane-1-carboxylic acid hydrochloride
CID 51358290
rel-(4R)-azepane-4-carboxylic acid
CID 59261047
Azepane-4-carboxylic acid hydrochloride
CID 68279383
2-[(3R)-piperidin-3-yl]acetic acid hydrochloride
CID 69293804
2-((3S)-piperidin-3-yl)acetic acid hydrochloride
CID 71742037
4-Azaspiro(2.5)octane-7-carboxylic acid hydrochloride
CID 138040767
3-Piperidineacetic acid
CID 283696
5-Azaspiro(2.5)octane-1-carboxylic acid hydrochloride
CID 122163372
(1R,7S,8R)-4-azabicyclo(5.1.0)octane-8-carboxylic acid hydrochloride
CID 155821572
rac-(1R,6S,7S)-3-azabicyclo(4.1.0)heptane-7-carboxylic acid hydrochloride
CID 155822113

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride?
The IUPAC name of 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride (CID 126796957) is 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride?
The canonical SMILES for 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride is Cl.O=C(O)C1C2CCNCC21.
What is the InChIKey of 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride?
The InChIKey is YCQIQKLAOXOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c9-7(10)6-4-1-2-8-3-5(4)6;/h4-6,8H,1-3H2,(H,9,10);1H.
What are the key properties of 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride?
3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptane-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 126796957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).