tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate

C9H15NO4 — CID 14686213

IUPACtert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6(11)4-5-7(10)12/h6,11H,4-5H2,1-3H3
InChIKeyGXOIGJJLRUCMDD-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.86
Rot. Bonds

About tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate

tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate (PubChem CID 14686213) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
PubChem CID14686213
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6(11)4-5-7(10)12/h6,11H,4-5H2,1-3H3
InChIKeyGXOIGJJLRUCMDD-UHFFFAOYSA-N
XLogP0.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734
tert-butyl 2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate;propane
CID 143193370
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 56991730
tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
tert-butyl (2S)-2-(ethylperoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 89281797
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
tert-butyl (2R)-2-(4-methoxyphenyl)-5-oxopyrrolidine-1-carboxylate
CID 24813040
ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl (1R,5R)-2,6-dioxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 71724109
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate (CID 14686213) is tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CCC1O.
What is the InChIKey of tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate?
The InChIKey is GXOIGJJLRUCMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6(11)4-5-7(10)12/h6,11H,4-5H2,1-3H3.
What are the key properties of tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate?
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 14686213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).