ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate

C11H21NO3 — CID 66671278

IUPACethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCCO)CC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)9-3-5-10(6-4-9)12-7-8-13/h9-10,12-13H,2-8H2,1H3
InChIKeyCPTBAEJIZIVTIL-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate

ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate (PubChem CID 66671278) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
PubChem CID66671278
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NCCO)CC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(14)9-3-5-10(6-4-9)12-7-8-13/h9-10,12-13H,2-8H2,1H3
InChIKeyCPTBAEJIZIVTIL-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3-amino-3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 112753907
ethyl 4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylate
CID 115924325
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
ethyl 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 113352339
ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate
CID 79204995
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate (CID 66671278) is ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NCCO)CC1.
What is the InChIKey of ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate?
The InChIKey is CPTBAEJIZIVTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(14)9-3-5-10(6-4-9)12-7-8-13/h9-10,12-13H,2-8H2,1H3.
What are the key properties of ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate?
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 66671278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).