3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid

C10H17NO4 — CID 130581644

IUPAC3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC1(C)CCN(CC(C)(O)C(=O)O)C1=O
InChIInChI=1S/C10H17NO4/c1-9(2)4-5-11(7(9)12)6-10(3,15)8(13)14/h15H,4-6H2,1-3H3,(H,13,14)
InChIKeyLYJIVIZAAMUOGB-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds3

About 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 130581644) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID130581644
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC1(C)CCN(CC(C)(O)C(=O)O)C1=O
InChIInChI=1S/C10H17NO4/c1-9(2)4-5-11(7(9)12)6-10(3,15)8(13)14/h15H,4-6H2,1-3H3,(H,13,14)
InChIKeyLYJIVIZAAMUOGB-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 130581644) is 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid is CC1(C)CCN(CC(C)(O)C(=O)O)C1=O.
What is the InChIKey of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is LYJIVIZAAMUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2)4-5-11(7(9)12)6-10(3,15)8(13)14/h15H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 130581644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).