2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride

C10H18ClNO2 — CID 70004038

IUPAC2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1C2CCCC1CNC2
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)4-9-7-2-1-3-8(9)6-11-5-7;/h7-9,11H,1-6H2,(H,12,13);1H
InChIKeyDWWGXDZZIOAPII-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.52
Rot. Bonds2

About 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride

2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride (PubChem CID 70004038) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride
PubChem CID70004038
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1C2CCCC1CNC2
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)4-9-7-2-1-3-8(9)6-11-5-7;/h7-9,11H,1-6H2,(H,12,13);1H
InChIKeyDWWGXDZZIOAPII-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic 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

Methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate
CID 73356690
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
(1R,5R,9R)-2-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 102104422
3-Azabicyclo[3.3.1]nonane-9-carboxylic acid hydrochloride
CID 47003583
(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-4-carboxylic acid
CID 20597811
2-{3-Azabicyclo[3.3.1]nonan-9-yl}acetic acid
CID 18670438
3-Azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 47003584
3-Azoniabicyclo[3.3.1]nonane-7-carboxylic acid
CID 134859907
4-(2-Carboxycyclohexyl)piperidin-1-ium chloride
CID 168475002
7-Fluoro-7-methyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 115022247
7,7-Difluoro-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 115023837
2-(7-Fluoro-7-methyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid
CID 115029172

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride (CID 70004038) is 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1C2CCCC1CNC2.
What is the InChIKey of 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride?
The InChIKey is DWWGXDZZIOAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c12-10(13)4-9-7-2-1-3-8(9)6-11-5-7;/h7-9,11H,1-6H2,(H,12,13);1H.
What are the key properties of 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride?
2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.3.1]nonan-9-yl)acetic acid;hydrochloride is sourced from PubChem (CID 70004038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).