tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate

C10H17NO4 — CID 99978734

IUPACtert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
SMILESCO[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7(12)5-6-8(11)14-4/h8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyDTZCKGNCJSNKHK-MRVPVSSYSA-N
MW215.25 g/mol
LogP1.52
Rot. Bonds1

About tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 99978734) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
PubChem CID99978734
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
SMILESCO[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7(12)5-6-8(11)14-4/h8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyDTZCKGNCJSNKHK-MRVPVSSYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl 2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate;propane
CID 143193370
tert-butyl (2R)-2-(4-methoxyphenyl)-5-oxopyrrolidine-1-carboxylate
CID 24813040
tert-butyl 2-(3-methoxyoxiran-2-yl)-6-oxopiperidine-1-carboxylate
CID 163658790
tert-butyl (1R,5R)-2,6-dioxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 71724109
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 56991730
tert-butyl (2S)-2-(ethylperoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 89281797
tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
1-O-tert-butyl 2-O-methyl (2S,3S)-3-deuterio-5-oxopyrrolidine-1,2-dicarboxylate
CID 176786676
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate
CID 174358225
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate (CID 99978734) is tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate is CO[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is DTZCKGNCJSNKHK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7(12)5-6-8(11)14-4/h8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 99978734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).