(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

C11H20ClNO2 — CID 164889496

IUPAC(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
SMILESCC1(C)C2CC[C@@]1(C)[C@@](N)(C(=O)O)C2.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-9(2)7-4-5-10(9,3)11(12,6-7)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7?,10-,11+;/m1./s1
InChIKeyIMNMQPKAUPMTML-VPCSKREWSA-N
MW233.74 g/mol
LogP2.04
Rot. Bonds1

About (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (PubChem CID 164889496) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
PubChem CID164889496
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
SMILESCC1(C)C2CC[C@@]1(C)[C@@](N)(C(=O)O)C2.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-9(2)7-4-5-10(9,3)11(12,6-7)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7?,10-,11+;/m1./s1
InChIKeyIMNMQPKAUPMTML-VPCSKREWSA-N
XLogP2.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The IUPAC name of (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (CID 164889496) is (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is CC1(C)C2CC[C@@]1(C)[C@@](N)(C(=O)O)C2.Cl.
What is the InChIKey of (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The InChIKey is IMNMQPKAUPMTML-VPCSKREWSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-9(2)7-4-5-10(9,3)11(12,6-7)8(13)14;/h7H,4-6,12H2,1-3H3,(H,13,14);1H/t7?,10-,11+;/m1./s1.
What are the key properties of (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 164889496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).