cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide

C7H14BrNO2 — CID 24751167

IUPACcis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
SMILESBr.N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2.BrH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyHHDQBZQDXPSNBI-IBTYICNHSA-N
MW224.10 g/mol
LogP1.17
Rot. Bonds1

About cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide

cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide (PubChem CID 24751167) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide.

Molecular Properties

Compound Namecis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
PubChem CID24751167
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Namecis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
SMILESBr.N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2.BrH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyHHDQBZQDXPSNBI-IBTYICNHSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
1-[(1R)-2-aminocyclohexyl]ethanone;hydrobromide
CID 90964979
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
1-(2-aminocyclohexyl)ethanone;ethane
CID 176999507
2-[1-(2-carboxycyclohexyl)ethenyl]cyclohexane-1-carboxylic acid
CID 177009051

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide?
The IUPAC name of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide (CID 24751167) is cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide.
What is the SMILES notation for cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide?
The canonical SMILES for cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide is Br.N[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide?
The InChIKey is HHDQBZQDXPSNBI-IBTYICNHSA-N. The full InChI is InChI=1S/C7H13NO2.BrH/c8-6-4-2-1-3-5(6)7(9)10;/h5-6H,1-4,8H2,(H,9,10);1H/t5-,6+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide?
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide has a molecular weight of 224.10 g/mol, XLogP of 1.17, 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-aminocyclohexane-1-carboxylic acid;hydrobromide is sourced from PubChem (CID 24751167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).