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

C13H22N2O4 — CID 3296025

IUPACmethyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O4/c1-19-12(17)11-7-10(16)8-15(11)13(18)14-9-5-3-2-4-6-9/h9-11,16H,2-8H2,1H3,(H,14,18)
InChIKeyLCWJHVLUOWBWNJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.64
Rot. Bonds2

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

methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 3296025) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID3296025
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O4/c1-19-12(17)11-7-10(16)8-15(11)13(18)14-9-5-3-2-4-6-9/h9-11,16H,2-8H2,1H3,(H,14,18)
InChIKeyLCWJHVLUOWBWNJ-UHFFFAOYSA-N
XLogP0.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate (CID 3296025) is methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)NC1CCCCC1.
What is the InChIKey of methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is LCWJHVLUOWBWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-12(17)11-7-10(16)8-15(11)13(18)14-9-5-3-2-4-6-9/h9-11,16H,2-8H2,1H3,(H,14,18).
What are the key properties of methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 3296025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).