tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate

C10H17NO4 — CID 22848098

IUPACtert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C[C@@H]1CO
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7,12H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyVOZPRIJINMECIR-SSDOTTSWSA-N
MW215.25 g/mol
LogP0.56
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate (PubChem CID 22848098) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
PubChem CID22848098
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)C[C@@H]1CO
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7,12H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyVOZPRIJINMECIR-SSDOTTSWSA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3,3-dimethylbutyl)-4-oxopyrrolidine-1-carboxylate
CID 172607958
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl (4Z)-4-ethylidene-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 131416610
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
tert-butyl 2-[[dimethylamino(methoxy)methoxy]methyl]-4-oxopyrrolidine-1-carboxylate
CID 130347293
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl 7-cyano-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 130405946
tert-butyl (5S)-5-(hydroxymethyl)-3,3-dimethyl-1,3-azasilolidine-1-carboxylate
CID 124635577

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate (CID 22848098) is tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1CO.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate?
The InChIKey is VOZPRIJINMECIR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7,12H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 22848098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).