tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate

C10H17NO5 — CID 68764658

IUPACtert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(O)C1CO
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-6(5-12)7(13)4-8(11)14/h6-7,12-13H,4-5H2,1-3H3
InChIKeyWWWJBJGKIWXDIW-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.12
Rot. Bonds1

About tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate (PubChem CID 68764658) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
PubChem CID68764658
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Nametert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(O)C1CO
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-6(5-12)7(13)4-8(11)14/h6-7,12-13H,4-5H2,1-3H3
InChIKeyWWWJBJGKIWXDIW-UHFFFAOYSA-N
XLogP-0.12
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate (CID 68764658) is tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC(O)C1CO.
What is the InChIKey of tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
The InChIKey is WWWJBJGKIWXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-6(5-12)7(13)4-8(11)14/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 68764658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).