ethyl 3-(cyclohexylcarbamoylamino)propanoate

C12H22N2O3 — CID 61173677

IUPACethyl 3-(cyclohexylcarbamoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-17-11(15)8-9-13-12(16)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyGMODGPFHYWSGIT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.57
Rot. Bonds5

About ethyl 3-(cyclohexylcarbamoylamino)propanoate

ethyl 3-(cyclohexylcarbamoylamino)propanoate (PubChem CID 61173677) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 3-(cyclohexylcarbamoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclohexylcarbamoylamino)propanoate
PubChem CID61173677
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 3-(cyclohexylcarbamoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-2-17-11(15)8-9-13-12(16)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,13,14,16)
InChIKeyGMODGPFHYWSGIT-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(cyclohexylcarbamoylamino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-[(4-ethylcyclohexyl)carbamoylamino]propanoate
CID 17174375
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
1-cyclopentyl-3-propylurea
CID 14343339
ethyl 4-(cyclopentylcarbamothioylamino)butanoate
CID 116508955
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclohexylcarbamoylamino)propanoate?
The IUPAC name of ethyl 3-(cyclohexylcarbamoylamino)propanoate (CID 61173677) is ethyl 3-(cyclohexylcarbamoylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclohexylcarbamoylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclohexylcarbamoylamino)propanoate is CCOC(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of ethyl 3-(cyclohexylcarbamoylamino)propanoate?
The InChIKey is GMODGPFHYWSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-11(15)8-9-13-12(16)14-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,13,14,16).
What are the key properties of ethyl 3-(cyclohexylcarbamoylamino)propanoate?
ethyl 3-(cyclohexylcarbamoylamino)propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclohexylcarbamoylamino)propanoate is sourced from PubChem (CID 61173677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).