trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide

C8H16BrNO2 — CID 118692709

IUPACtrans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
SMILESBr.CN[C@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2.BrH/c1-9-7-5-3-2-4-6(7)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7-;/m0./s1
InChIKeyJQBYHVLMQGSGJF-LEUCUCNGSA-N
MW238.12 g/mol
LogP1.43
Rot. Bonds2

About trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide

trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide (PubChem CID 118692709) has the molecular formula C8H16BrNO2 and a molecular weight of 238.12 g/mol. Its IUPAC name is trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
PubChem CID118692709
Molecular FormulaC8H16BrNO2
Molecular Weight238.12 g/mol
Exact Mass237.04
IUPAC Nametrans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
SMILESBr.CN[C@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2.BrH/c1-9-7-5-3-2-4-6(7)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7-;/m0./s1
InChIKeyJQBYHVLMQGSGJF-LEUCUCNGSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
N,N-dimethyl-2-(methylamino)cyclohexane-1-carboxamide
CID 163270148
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
2-[[(Z)-2-methylbut-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 115909861
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide?
The IUPAC name of trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide (CID 118692709) is trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide.
What is the SMILES notation for trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide?
The canonical SMILES for trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide is Br.CN[C@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide?
The InChIKey is JQBYHVLMQGSGJF-LEUCUCNGSA-N. The full InChI is InChI=1S/C8H15NO2.BrH/c1-9-7-5-3-2-4-6(7)8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide?
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide has a molecular weight of 238.12 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide is sourced from PubChem (CID 118692709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).