(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 164889497

IUPAC(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@]1(C(=O)O)CC2CCC1C2
InChIInChI=1S/C8H13NO2.ClH/c9-8(7(10)11)4-5-1-2-6(8)3-5;/h5-6H,1-4,9H2,(H,10,11);1H/t5?,6?,8-;/m1./s1
InChIKeyVPKXFQOKRQNCRU-MXIZBEJISA-N
MW191.66 g/mol
LogP1.01
Rot. Bonds1

About (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride

(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (PubChem CID 164889497) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
PubChem CID164889497
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@]1(C(=O)O)CC2CCC1C2
InChIInChI=1S/C8H13NO2.ClH/c9-8(7(10)11)4-5-1-2-6(8)3-5;/h5-6H,1-4,9H2,(H,10,11);1H/t5?,6?,8-;/m1./s1
InChIKeyVPKXFQOKRQNCRU-MXIZBEJISA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride (CID 164889497) is (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is Cl.N[C@]1(C(=O)O)CC2CCC1C2.
What is the InChIKey of (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
The InChIKey is VPKXFQOKRQNCRU-MXIZBEJISA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c9-8(7(10)11)4-5-1-2-6(8)3-5;/h5-6H,1-4,9H2,(H,10,11);1H/t5?,6?,8-;/m1./s1.
What are the key properties of (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride?
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 164889497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).