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

C14H27NO4 — CID 55146708

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(C(C)COC)C1CCCCC1C(=O)O
InChIInChI=1S/C14H27NO4/c1-11(10-19-3)15(8-9-18-2)13-7-5-4-6-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyFNCWHSBCSBLUQZ-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.61
Rot. Bonds8

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

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55146708) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID55146708
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(C(C)COC)C1CCCCC1C(=O)O
InChIInChI=1S/C14H27NO4/c1-11(10-19-3)15(8-9-18-2)13-7-5-4-6-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyFNCWHSBCSBLUQZ-UHFFFAOYSA-N
XLogP1.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid (CID 55146708) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid is COCCN(C(C)COC)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FNCWHSBCSBLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-11(10-19-3)15(8-9-18-2)13-7-5-4-6-12(13)14(16)17/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 273.37 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55146708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).