cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 45262222

IUPACcis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
SMILESCC1(C)C[C@H](N)[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)3-5(7(10)11)6(9)4-8;/h5-6H,3-4,9H2,1-2H3,(H,10,11);1H/t5-,6+;/m1./s1
InChIKeyJZCJWISOQPQJNK-IBTYICNHSA-N
MW193.67 g/mol
LogP1.26
Rot. Bonds1

About cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride

cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 45262222) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
PubChem CID45262222
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namecis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride
SMILESCC1(C)C[C@H](N)[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)3-5(7(10)11)6(9)4-8;/h5-6H,3-4,9H2,1-2H3,(H,10,11);1H/t5-,6+;/m1./s1
InChIKeyJZCJWISOQPQJNK-IBTYICNHSA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride (CID 45262222) is cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride is CC1(C)C[C@H](N)[C@H](C(=O)O)C1.Cl.
What is the InChIKey of cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is JZCJWISOQPQJNK-IBTYICNHSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2)3-5(7(10)11)6(9)4-8;/h5-6H,3-4,9H2,1-2H3,(H,10,11);1H/t5-,6+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride?
cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-4,4-dimethylcyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).