3-(ethylamino)cyclohexane-1-carboxylic acid

C9H17NO2 — CID 63044417

IUPAC3-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-2-10-8-5-3-4-7(6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyOQMURAPZUFOZDZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds3

About 3-(ethylamino)cyclohexane-1-carboxylic acid

3-(ethylamino)cyclohexane-1-carboxylic acid (PubChem CID 63044417) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(ethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(ethylamino)cyclohexane-1-carboxylic acid
PubChem CID63044417
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(ethylamino)cyclohexane-1-carboxylic acid
SMILESCCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-2-10-8-5-3-4-7(6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyOQMURAPZUFOZDZ-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(ethylamino)cyclohexane-1-carboxylic acid (CID 63044417) is 3-(ethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(ethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(ethylamino)cyclohexane-1-carboxylic acid is CCNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(ethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OQMURAPZUFOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-10-8-5-3-4-7(6-8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(ethylamino)cyclohexane-1-carboxylic acid?
3-(ethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).