(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 43865924

IUPAC(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O
InChIInChI=1S/C8H13NO2.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h4-7H,1-3,9H2,(H,10,11);1H/t4-,5+,6-,7+;/m0./s1
InChIKeyGVGHCTZKPYWADE-DABREVLYSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds1

About (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (PubChem CID 43865924) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
PubChem CID43865924
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O
InChIInChI=1S/C8H13NO2.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h4-7H,1-3,9H2,(H,10,11);1H/t4-,5+,6-,7+;/m0./s1
InChIKeyGVGHCTZKPYWADE-DABREVLYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-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

(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
CID 162343969
(1R,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 10910202
(1R,2S,3R,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 162394068
3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726919
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
CID 79194327
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 130765151
tert-butyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
CID 178194354

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The IUPAC name of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (CID 43865924) is (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is Cl.N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O.
What is the InChIKey of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The InChIKey is GVGHCTZKPYWADE-DABREVLYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h4-7H,1-3,9H2,(H,10,11);1H/t4-,5+,6-,7+;/m0./s1.
What are the key properties of (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 43865924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).