propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate

C11H21NO3 — CID 581915

IUPACpropan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CC(O)CN1C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)12-6-9(13)5-10(12)11(14)15-8(3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyFKGDIVMBDFMHGI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds3

About propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate

propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 581915) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID581915
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CC(O)CN1C(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)12-6-9(13)5-10(12)11(14)15-8(3)4/h7-10,13H,5-6H2,1-4H3
InChIKeyFKGDIVMBDFMHGI-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate (CID 581915) is propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate is CC(C)OC(=O)C1CC(O)CN1C(C)C.
What is the InChIKey of propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is FKGDIVMBDFMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)12-6-9(13)5-10(12)11(14)15-8(3)4/h7-10,13H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate?
propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-hydroxy-1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 581915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).