4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid

C11H21NO4 — CID 61070332

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCOCCO)CC1
InChIInChI=1S/C11H21NO4/c13-6-8-16-7-5-12-10-3-1-9(2-4-10)11(14)15/h9-10,12-13H,1-8H2,(H,14,15)
InChIKeyFQZFXYHHQOUPBB-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.23
Rot. Bonds7

About 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid

4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 61070332) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID61070332
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCOCCO)CC1
InChIInChI=1S/C11H21NO4/c13-6-8-16-7-5-12-10-3-1-9(2-4-10)11(14)15/h9-10,12-13H,1-8H2,(H,14,15)
InChIKeyFQZFXYHHQOUPBB-UHFFFAOYSA-N
XLogP0.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.23
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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Related Compounds

2-[2-(cyclohexylamino)ethoxy]ethanol
CID 3361598
4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 91018555
4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
CID 114817197
4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737
4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
CID 60808095
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid (CID 61070332) is 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCOCCO)CC1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FQZFXYHHQOUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c13-6-8-16-7-5-12-10-3-1-9(2-4-10)11(14)15/h9-10,12-13H,1-8H2,(H,14,15).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid?
4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.23, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61070332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).