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

C8H14ClNO2 — CID 45263933

IUPACcis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride
SMILESC=C1CC[C@@H](C(=O)O)[C@@H](N)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h6-7H,1-4,9H2,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyGPQUKYXTZGAJMH-HHQFNNIRSA-N
MW191.66 g/mol
LogP1.18
Rot. Bonds1

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

cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 45263933) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride
PubChem CID45263933
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namecis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride
SMILESC=C1CC[C@@H](C(=O)O)[C@@H](N)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h6-7H,1-4,9H2,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyGPQUKYXTZGAJMH-HHQFNNIRSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methylidenecyclohexane-1-carboxylic acid
CID 56674076
cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265238
2-fluoro-4-methylidenecyclohexane-1-carboxylic acid
CID 91026013
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265300
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45262168
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride (CID 45263933) is cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride is C=C1CC[C@@H](C(=O)O)[C@@H](N)C1.Cl.
What is the InChIKey of cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is GPQUKYXTZGAJMH-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h6-7H,1-4,9H2,(H,10,11);1H/t6-,7+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride?
cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.18, 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-methylidenecyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 45263933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).