ethyl 3-(2-cyclohexylethylamino)propanoate

C13H25NO2 — CID 60920953

IUPACethyl 3-(2-cyclohexylethylamino)propanoate
SMILESCCOC(=O)CCNCCC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-16-13(15)9-11-14-10-8-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3
InChIKeyVLZCRUZVMVGBCF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds7

About ethyl 3-(2-cyclohexylethylamino)propanoate

ethyl 3-(2-cyclohexylethylamino)propanoate (PubChem CID 60920953) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 3-(2-cyclohexylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyclohexylethylamino)propanoate
PubChem CID60920953
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 3-(2-cyclohexylethylamino)propanoate
SMILESCCOC(=O)CCNCCC1CCCCC1
InChIInChI=1S/C13H25NO2/c1-2-16-13(15)9-11-14-10-8-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3
InChIKeyVLZCRUZVMVGBCF-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
ethyl 6-cyclohexyl-3-oxohexanoate
CID 101146928
3-(butylamino)propyl 3-cyclohexylpropanoate
CID 82532321
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039239

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclohexylethylamino)propanoate?
The IUPAC name of ethyl 3-(2-cyclohexylethylamino)propanoate (CID 60920953) is ethyl 3-(2-cyclohexylethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-cyclohexylethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-cyclohexylethylamino)propanoate is CCOC(=O)CCNCCC1CCCCC1.
What is the InChIKey of ethyl 3-(2-cyclohexylethylamino)propanoate?
The InChIKey is VLZCRUZVMVGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-16-13(15)9-11-14-10-8-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3.
What are the key properties of ethyl 3-(2-cyclohexylethylamino)propanoate?
ethyl 3-(2-cyclohexylethylamino)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclohexylethylamino)propanoate is sourced from PubChem (CID 60920953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).