ethyl 3-(cyclododecylamino)propanoate

C17H33NO2 — CID 63476894

IUPACethyl 3-(cyclododecylamino)propanoate
SMILESCCOC(=O)CCNC1CCCCCCCCCCC1
InChIInChI=1S/C17H33NO2/c1-2-20-17(19)14-15-18-16-12-10-8-6-4-3-5-7-9-11-13-16/h16,18H,2-15H2,1H3
InChIKeyWPTCQZHRJALVHO-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.20
Rot. Bonds5

About ethyl 3-(cyclododecylamino)propanoate

ethyl 3-(cyclododecylamino)propanoate (PubChem CID 63476894) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethyl 3-(cyclododecylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclododecylamino)propanoate
PubChem CID63476894
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethyl 3-(cyclododecylamino)propanoate
SMILESCCOC(=O)CCNC1CCCCCCCCCCC1
InChIInChI=1S/C17H33NO2/c1-2-20-17(19)14-15-18-16-12-10-8-6-4-3-5-7-9-11-13-16/h16,18H,2-15H2,1H3
InChIKeyWPTCQZHRJALVHO-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(oxan-3-ylamino)propanoate
CID 63363910
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
butyl 3-(cyclopropylamino)propanoate
CID 60649312
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
2-methoxyethyl 3-(cyclopropylamino)propanoate
CID 61301679
cyclopentyl 3-(cyclopropylamino)propanoate
CID 61278609
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclododecylamino)propanoate?
The IUPAC name of ethyl 3-(cyclododecylamino)propanoate (CID 63476894) is ethyl 3-(cyclododecylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclododecylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclododecylamino)propanoate is CCOC(=O)CCNC1CCCCCCCCCCC1.
What is the InChIKey of ethyl 3-(cyclododecylamino)propanoate?
The InChIKey is WPTCQZHRJALVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-20-17(19)14-15-18-16-12-10-8-6-4-3-5-7-9-11-13-16/h16,18H,2-15H2,1H3.
What are the key properties of ethyl 3-(cyclododecylamino)propanoate?
ethyl 3-(cyclododecylamino)propanoate has a molecular weight of 283.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclododecylamino)propanoate is sourced from PubChem (CID 63476894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).