4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

C14H27NO4 — CID 102630855

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NCCOCCO)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H27NO4/c1-10-12(15-6-8-19-9-7-16)5-4-11(13(17)18)14(10,2)3/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)
InChIKeyOGLDXNYHLMNYHZ-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.11
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 102630855) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID102630855
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NCCOCCO)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H27NO4/c1-10-12(15-6-8-19-9-7-16)5-4-11(13(17)18)14(10,2)3/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)
InChIKeyOGLDXNYHLMNYHZ-UHFFFAOYSA-N
XLogP1.11
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid (CID 102630855) is 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid is CC1C(NCCOCCO)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is OGLDXNYHLMNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-10-12(15-6-8-19-9-7-16)5-4-11(13(17)18)14(10,2)3/h10-12,15-16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 273.37 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102630855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).