3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid

C7H11NO3 — CID 10820829

IUPAC3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(=O)NC1C(=O)O
InChIInChI=1S/C7H11NO3/c1-7(2)3-4(9)8-5(7)6(10)11/h5H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyTVZZAWCQMQIZOO-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds1

About 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid

3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 10820829) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID10820829
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(=O)NC1C(=O)O
InChIInChI=1S/C7H11NO3/c1-7(2)3-4(9)8-5(7)6(10)11/h5H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyTVZZAWCQMQIZOO-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid (CID 10820829) is 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid is CC1(C)CC(=O)NC1C(=O)O.
What is the InChIKey of 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is TVZZAWCQMQIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7(2)3-4(9)8-5(7)6(10)11/h5H,3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid?
3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10820829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).