trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid

C10H19NO2 — CID 145395448

IUPACtrans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyRCZKNKBZCXAXAP-IUCAKERBSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

About trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid

trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 145395448) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID145395448
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametrans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyRCZKNKBZCXAXAP-IUCAKERBSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(dimethylamino)methyl]cyclohexane-1-carboxylate
CID 145395402
1-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 22812116
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
CID 81020373
trans-(1R,2S)-2-(acetyloxymethyl)cyclohexane-1-carboxylic acid
CID 139948026
2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 142750510
trans-(1S,2R)-5-(2-boronoethyl)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 148782911
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
CID 81008981
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid (CID 145395448) is trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid is CN(C)C[C@@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RCZKNKBZCXAXAP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid?
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 145395448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).