tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate

C10H17NO4 — CID 11053046

IUPACtert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CO
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyNYYVBJAPYGKIEN-ZETCQYMHSA-N
MW215.25 g/mol
LogP0.90
Rot. Bonds1

About tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 11053046) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID11053046
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CO
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyNYYVBJAPYGKIEN-ZETCQYMHSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate (CID 11053046) is tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CO.
What is the InChIKey of tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is NYYVBJAPYGKIEN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11053046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).