trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid

C8H15NO2 — CID 14901341

IUPACtrans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
SMILESCN[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyWBWLQVJMCJPYHB-RNFRBKRXSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds2

About trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid

trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 14901341) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID14901341
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nametrans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
SMILESCN[C@@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyWBWLQVJMCJPYHB-RNFRBKRXSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid (CID 14901341) is trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid is CN[C@@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WBWLQVJMCJPYHB-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 14901341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).