trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid

C11H21NO3 — CID 162909891

IUPACtrans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
SMILESCC[C@]1(O)CCCC[C@]1(C(=O)O)N(C)C
InChIInChI=1S/C11H21NO3/c1-4-10(15)7-5-6-8-11(10,9(13)14)12(2)3/h15H,4-8H2,1-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKeySNYHPCOEBMTXBQ-WDEREUQCSA-N
MW215.29 g/mol
LogP1.09
Rot. Bonds3

About trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid

trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 162909891) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID162909891
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametrans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
SMILESCC[C@]1(O)CCCC[C@]1(C(=O)O)N(C)C
InChIInChI=1S/C11H21NO3/c1-4-10(15)7-5-6-8-11(10,9(13)14)12(2)3/h15H,4-8H2,1-3H3,(H,13,14)/t10-,11+/m0/s1
InChIKeySNYHPCOEBMTXBQ-WDEREUQCSA-N
XLogP1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-ethyl (1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylate
CID 163065190
2-ethyl-2-hydroxy-1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 68674747
1-(4-chlorophenyl)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid
CID 68673792
1-[ethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 82236408
1-[cyclopropyl(ethyl)amino]cyclopentane-1-carboxylic acid
CID 82238498
1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
CID 82238455
1-[methyl(propyl)amino]cyclooctane-1-carboxylic acid
CID 82238465
1,2-bis(hydroxymethyl)cyclohexane-1,2-diol
CID 154235740
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-(diethylamino)cycloheptane-1-carboxylic acid
CID 43803613
1-[1-(dimethylamino)cyclohexyl]propan-2-one
CID 58143295

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid (CID 162909891) is trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid is CC[C@]1(O)CCCC[C@]1(C(=O)O)N(C)C.
What is the InChIKey of trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is SNYHPCOEBMTXBQ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10(15)7-5-6-8-11(10,9(13)14)12(2)3/h15H,4-8H2,1-3H3,(H,13,14)/t10-,11+/m0/s1.
What are the key properties of trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid?
trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(dimethylamino)-2-ethyl-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 162909891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).