2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid

C13H25NO4 — CID 55146526

IUPAC2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(CCOC)C1CCCCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-17-9-7-14(8-10-18-2)12-6-4-3-5-11(12)13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyJOWZTNULDXISEV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.22
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid

2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55146526) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID55146526
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(CCOC)C1CCCCC1C(=O)O
InChIInChI=1S/C13H25NO4/c1-17-9-7-14(8-10-18-2)12-6-4-3-5-11(12)13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyJOWZTNULDXISEV-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid (CID 55146526) is 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid is COCCN(CCOC)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JOWZTNULDXISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-17-9-7-14(8-10-18-2)12-6-4-3-5-11(12)13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).