ethyl 2-(2-aminocyclohexyl)oxypropanoate

C11H21NO3 — CID 106940844

IUPACethyl 2-(2-aminocyclohexyl)oxypropanoate
SMILESCCOC(=O)C(C)OC1CCCCC1N
InChIInChI=1S/C11H21NO3/c1-3-14-11(13)8(2)15-10-7-5-4-6-9(10)12/h8-10H,3-7,12H2,1-2H3
InChIKeyDEKJQVONDVEKNU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.22
Rot. Bonds4

About ethyl 2-(2-aminocyclohexyl)oxypropanoate

ethyl 2-(2-aminocyclohexyl)oxypropanoate (PubChem CID 106940844) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(2-aminocyclohexyl)oxypropanoate.

Molecular Properties

Compound Nameethyl 2-(2-aminocyclohexyl)oxypropanoate
PubChem CID106940844
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(2-aminocyclohexyl)oxypropanoate
SMILESCCOC(=O)C(C)OC1CCCCC1N
InChIInChI=1S/C11H21NO3/c1-3-14-11(13)8(2)15-10-7-5-4-6-9(10)12/h8-10H,3-7,12H2,1-2H3
InChIKeyDEKJQVONDVEKNU-UHFFFAOYSA-N
XLogP1.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-aminocyclopentyl)oxybutanoate
CID 106940805
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811
2-(2-aminocyclohexyl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 113395322
cis-(1S,2R)-2-propan-2-yloxycycloheptan-1-amine
CID 94519420
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
CID 79356654
[(1S,2S)-2-aminocyclohexyl] propanoate
CID 67429872
cis-(1R,2S)-2-propan-2-yloxycyclopentan-1-amine
CID 94519427
ethyl 2-cyclopentylpropanoate
CID 10654733
2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
CID 106940224
(2-aminocyclopentyl) 2-methylpropanoate
CID 162779526
diethyl 2,3-dicyclopentyloxybutanedioate
CID 139989407
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminocyclohexyl)oxypropanoate?
The IUPAC name of ethyl 2-(2-aminocyclohexyl)oxypropanoate (CID 106940844) is ethyl 2-(2-aminocyclohexyl)oxypropanoate.
What is the SMILES notation for ethyl 2-(2-aminocyclohexyl)oxypropanoate?
The canonical SMILES for ethyl 2-(2-aminocyclohexyl)oxypropanoate is CCOC(=O)C(C)OC1CCCCC1N.
What is the InChIKey of ethyl 2-(2-aminocyclohexyl)oxypropanoate?
The InChIKey is DEKJQVONDVEKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-14-11(13)8(2)15-10-7-5-4-6-9(10)12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of ethyl 2-(2-aminocyclohexyl)oxypropanoate?
ethyl 2-(2-aminocyclohexyl)oxypropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminocyclohexyl)oxypropanoate is sourced from PubChem (CID 106940844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).