4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid

C7H10F2N2O3 — CID 121434633

IUPAC4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCNC(=O)C1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C7H10F2N2O3/c1-10-5(12)4-2-7(8,9)3-11(4)6(13)14/h4H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyDEPCKHLOGKIBEC-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.12
Rot. Bonds1

About 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid

4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 121434633) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID121434633
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCNC(=O)C1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C7H10F2N2O3/c1-10-5(12)4-2-7(8,9)3-11(4)6(13)14/h4H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyDEPCKHLOGKIBEC-UHFFFAOYSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-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 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 121434633) is 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid is CNC(=O)C1CC(F)(F)CN1C(=O)O.
What is the InChIKey of 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is DEPCKHLOGKIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c1-10-5(12)4-2-7(8,9)3-11(4)6(13)14/h4H,2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid?
4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 208.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 121434633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).