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

C8H14ClNO2 — CID 67196901

IUPAC(1R,2S,3R,4S)-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-;/m1./s1
InChIKeyGVGHCTZKPYWADE-BZUDZRPRSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds1

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

(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (PubChem CID 67196901) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
PubChem CID67196901
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(1R,2S,3R,4S)-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-;/m1./s1
InChIKeyGVGHCTZKPYWADE-BZUDZRPRSA-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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The IUPAC name of (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (CID 67196901) is (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,2S,3R,4S)-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 (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The InChIKey is GVGHCTZKPYWADE-BZUDZRPRSA-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-;/m1./s1.
What are the key properties of (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
(1R,2S,3R,4S)-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 (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67196901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).