methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate

C14H25NO3 — CID 112632727

IUPACmethyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCC1CCCCC1N1CC(O)CC1C(=O)OC
InChIInChI=1S/C14H25NO3/c1-3-10-6-4-5-7-12(10)15-9-11(16)8-13(15)14(17)18-2/h10-13,16H,3-9H2,1-2H3
InChIKeyHZQQIULIBLOIIF-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.56
Rot. Bonds3

About methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate

methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 112632727) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID112632727
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCC1CCCCC1N1CC(O)CC1C(=O)OC
InChIInChI=1S/C14H25NO3/c1-3-10-6-4-5-7-12(10)15-9-11(16)8-13(15)14(17)18-2/h10-13,16H,3-9H2,1-2H3
InChIKeyHZQQIULIBLOIIF-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
ethyl 1-(2-ethylcyclohexyl)piperidine-2-carboxylate
CID 115539291
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
methyl 1-(2-hydroxycyclohexyl)azetidine-2-carboxylate
CID 112581433
tert-butyl (2R)-1-(2-ethylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537695
methyl 4-hydroxy-1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylate
CID 112632907
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
CID 115537940

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate (CID 112632727) is methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate is CCC1CCCCC1N1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is HZQQIULIBLOIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-10-6-4-5-7-12(10)15-9-11(16)8-13(15)14(17)18-2/h10-13,16H,3-9H2,1-2H3.
What are the key properties of methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 112632727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).