tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate

C10H17NO4 — CID 70148103

IUPACtert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-8(13)6-11-5-4-7(12)9(11)14/h7,12H,4-6H2,1-3H3
InChIKeyWVEVCDAPUNRHSC-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.08
Rot. Bonds2

About tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate

tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate (PubChem CID 70148103) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate
PubChem CID70148103
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCC(O)C1=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-8(13)6-11-5-4-7(12)9(11)14/h7,12H,4-6H2,1-3H3
InChIKeyWVEVCDAPUNRHSC-UHFFFAOYSA-N
XLogP-0.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate (CID 70148103) is tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate is CC(C)(C)OC(=O)CN1CCC(O)C1=O.
What is the InChIKey of tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
The InChIKey is WVEVCDAPUNRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-8(13)6-11-5-4-7(12)9(11)14/h7,12H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate?
tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate has a molecular weight of 215.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 70148103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).