tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate

C10H19NO3 — CID 90048538

IUPACtert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1CCC(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyCEBBZCKNQIKCBB-GVHYBUMESA-N
MW201.27 g/mol
LogP1.72
Rot. Bonds

About tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate

tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate (PubChem CID 90048538) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
PubChem CID90048538
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
SMILESC[C@@H]1CCC(O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyCEBBZCKNQIKCBB-GVHYBUMESA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
1-O-tert-butyl 2-O-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate;ethane
CID 90775482
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (2S,5S)-2-(dimethylcarbamoyl)-5-methylpyrrolidine-1-carboxylate
CID 58007021
1-O-tert-butyl 2-O-ethyl (2R,5S)-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 95654543
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971
1-O-tert-butyl 2-O-ethyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate
CID 10801244
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
tert-butyl (5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 176763808

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate (CID 90048538) is tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate is C[C@@H]1CCC(O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate?
The InChIKey is CEBBZCKNQIKCBB-GVHYBUMESA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-6-8(12)11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate?
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 90048538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).