2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid

C11H17NO5 — CID 175417367

IUPAC2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)CCC(=O)N1C(=O)O
InChIInChI=1S/C11H17NO5/c1-10(2,3)6-11(8(14)15)5-4-7(13)12(11)9(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGQDQYBNTHPQMGB-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.55
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid

2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid (PubChem CID 175417367) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid
PubChem CID175417367
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESCC(C)(C)CC1(C(=O)O)CCC(=O)N1C(=O)O
InChIInChI=1S/C11H17NO5/c1-10(2,3)6-11(8(14)15)5-4-7(13)12(11)9(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGQDQYBNTHPQMGB-UHFFFAOYSA-N
XLogP1.55
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid (CID 175417367) is 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid is CC(C)(C)CC1(C(=O)O)CCC(=O)N1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid?
The InChIKey is GQDQYBNTHPQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-10(2,3)6-11(8(14)15)5-4-7(13)12(11)9(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid?
2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 175417367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).