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

C12H23NO3 — CID 114996679

IUPAC1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN(CCOC)C1(C(=O)O)CCCCC1
InChIInChI=1S/C12H23NO3/c1-3-13(9-10-16-2)12(11(14)15)7-5-4-6-8-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyCKULMVUGGOSFLN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds6

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

1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114996679) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114996679
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN(CCOC)C1(C(=O)O)CCCCC1
InChIInChI=1S/C12H23NO3/c1-3-13(9-10-16-2)12(11(14)15)7-5-4-6-8-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyCKULMVUGGOSFLN-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid (CID 114996679) is 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid is CCN(CCOC)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is CKULMVUGGOSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-13(9-10-16-2)12(11(14)15)7-5-4-6-8-12/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114996679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).