ethyl 4-cyclohexyloxy-2-(methylamino)butanoate

C13H25NO3 — CID 55142810

IUPACethyl 4-cyclohexyloxy-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCOC1CCCCC1)NC
InChIInChI=1S/C13H25NO3/c1-3-16-13(15)12(14-2)9-10-17-11-7-5-4-6-8-11/h11-12,14H,3-10H2,1-2H3
InChIKeyRZOSLTLEOYWSQY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds7

About ethyl 4-cyclohexyloxy-2-(methylamino)butanoate

ethyl 4-cyclohexyloxy-2-(methylamino)butanoate (PubChem CID 55142810) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 4-cyclohexyloxy-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-cyclohexyloxy-2-(methylamino)butanoate
PubChem CID55142810
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 4-cyclohexyloxy-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCOC1CCCCC1)NC
InChIInChI=1S/C13H25NO3/c1-3-16-13(15)12(14-2)9-10-17-11-7-5-4-6-8-11/h11-12,14H,3-10H2,1-2H3
InChIKeyRZOSLTLEOYWSQY-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-cyclohexyloxy-2-(methylamino)butanoate 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 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
4-cyclohexyloxy-2-(propylamino)butanamide
CID 63039498
4-cycloheptyloxy-2-(propylamino)butanamide
CID 63039984
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
CID 55143758
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850
ethyl 4-(3,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 64745772
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyloxy-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-cyclohexyloxy-2-(methylamino)butanoate (CID 55142810) is ethyl 4-cyclohexyloxy-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-cyclohexyloxy-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-cyclohexyloxy-2-(methylamino)butanoate is CCOC(=O)C(CCOC1CCCCC1)NC.
What is the InChIKey of ethyl 4-cyclohexyloxy-2-(methylamino)butanoate?
The InChIKey is RZOSLTLEOYWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-16-13(15)12(14-2)9-10-17-11-7-5-4-6-8-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 4-cyclohexyloxy-2-(methylamino)butanoate?
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyloxy-2-(methylamino)butanoate is sourced from PubChem (CID 55142810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).