ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate

C13H25NO2 — CID 61498288

IUPACethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1C(C)CCCC1C
InChIInChI=1S/C13H25NO2/c1-5-16-13(15)11(4)14-12-9(2)7-6-8-10(12)3/h9-12,14H,5-8H2,1-4H3
InChIKeyGIOLTUNXPXFWQL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate

ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate (PubChem CID 61498288) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
PubChem CID61498288
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1C(C)CCCC1C
InChIInChI=1S/C13H25NO2/c1-5-16-13(15)11(4)14-12-9(2)7-6-8-10(12)3/h9-12,14H,5-8H2,1-4H3
InChIKeyGIOLTUNXPXFWQL-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclooctylamino)propanoate
CID 61498293
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
ethyl 2-[(1S,2S)-2-methylcyclopentyl]propanoate
CID 10797593
ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
ethyl 4-[2-[[(2R,6R)-2,6-dimethylcyclohexyl]amino]acetyl]piperazine-1-carboxylate
CID 97258451
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
ethyl 2-[(2,3-dimethylcyclohexyl)amino]butanoate
CID 64667349
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate (CID 61498288) is ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate is CCOC(=O)C(C)NC1C(C)CCCC1C.
What is the InChIKey of ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate?
The InChIKey is GIOLTUNXPXFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-16-13(15)11(4)14-12-9(2)7-6-8-10(12)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate?
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate is sourced from PubChem (CID 61498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).