2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid

C7H9F2NO3 — CID 130600701

IUPAC2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C1CCCN1CC(F)(F)C(=O)O
InChIInChI=1S/C7H9F2NO3/c8-7(9,6(12)13)4-10-3-1-2-5(10)11/h1-4H2,(H,12,13)
InChIKeyZVPSEFMOJDJADH-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.33
Rot. Bonds3

About 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid

2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 130600701) has the molecular formula C7H9F2NO3 and a molecular weight of 193.15 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID130600701
Molecular FormulaC7H9F2NO3
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC Name2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid
SMILESO=C1CCCN1CC(F)(F)C(=O)O
InChIInChI=1S/C7H9F2NO3/c8-7(9,6(12)13)4-10-3-1-2-5(10)11/h1-4H2,(H,12,13)
InChIKeyZVPSEFMOJDJADH-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid (CID 130600701) is 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid is O=C1CCCN1CC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is ZVPSEFMOJDJADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3/c8-7(9,6(12)13)4-10-3-1-2-5(10)11/h1-4H2,(H,12,13).
What are the key properties of 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid?
2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 193.15 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 130600701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).