methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate

C11H21NO3 — CID 123373602

IUPACmethyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(O)N(CC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-11(2,3)7-12-6-8(5-9(12)13)10(14)15-4/h8-9,13H,5-7H2,1-4H3
InChIKeyFVTIMUIHRHNHNW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.85
Rot. Bonds2

About methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate

methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate (PubChem CID 123373602) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate
PubChem CID123373602
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(O)N(CC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-11(2,3)7-12-6-8(5-9(12)13)10(14)15-4/h8-9,13H,5-7H2,1-4H3
InChIKeyFVTIMUIHRHNHNW-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate (CID 123373602) is methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate is COC(=O)C1CC(O)N(CC(C)(C)C)C1.
What is the InChIKey of methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate?
The InChIKey is FVTIMUIHRHNHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)7-12-6-8(5-9(12)13)10(14)15-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate?
methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethylpropyl)-5-hydroxypyrrolidine-3-carboxylate is sourced from PubChem (CID 123373602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).