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

C8H13NO2 — CID 54194765

IUPAC3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1CC(C)(C)C(C(=O)O)N1
InChIInChI=1S/C8H13NO2/c1-5-4-8(2,3)6(9-5)7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11)
InChIKeyPLAJJTWKEXXQPR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds1

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

3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid (PubChem CID 54194765) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
PubChem CID54194765
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
SMILESC=C1CC(C)(C)C(C(=O)O)N1
InChIInChI=1S/C8H13NO2/c1-5-4-8(2,3)6(9-5)7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11)
InChIKeyPLAJJTWKEXXQPR-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-5-methylidenepyrrolidine-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-methylidenepyrrolidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid (CID 54194765) is 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid is C=C1CC(C)(C)C(C(=O)O)N1.
What is the InChIKey of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
The InChIKey is PLAJJTWKEXXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-4-8(2,3)6(9-5)7(10)11/h6,9H,1,4H2,2-3H3,(H,10,11).
What are the key properties of 3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid?
3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.97, 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-methylidenepyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54194765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).