3-fluoro-2-oxopyrrolidine-1-carboxylic acid

C5H6FNO3 — CID 151182164

IUPAC3-fluoro-2-oxopyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)C1=O
InChIInChI=1S/C5H6FNO3/c6-3-1-2-7(4(3)8)5(9)10/h3H,1-2H2,(H,9,10)
InChIKeyNENMSFGRSKQPOM-UHFFFAOYSA-N
MW147.10 g/mol
LogP0.23
Rot. Bonds

About 3-fluoro-2-oxopyrrolidine-1-carboxylic acid

3-fluoro-2-oxopyrrolidine-1-carboxylic acid (PubChem CID 151182164) has the molecular formula C5H6FNO3 and a molecular weight of 147.10 g/mol. Its IUPAC name is 3-fluoro-2-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-oxopyrrolidine-1-carboxylic acid
PubChem CID151182164
Molecular FormulaC5H6FNO3
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Name3-fluoro-2-oxopyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)C1=O
InChIInChI=1S/C5H6FNO3/c6-3-1-2-7(4(3)8)5(9)10/h3H,1-2H2,(H,9,10)
InChIKeyNENMSFGRSKQPOM-UHFFFAOYSA-N
XLogP0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-2-oxopyrrolidine-1-carboxylic acid (CID 151182164) is 3-fluoro-2-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-2-oxopyrrolidine-1-carboxylic acid is O=C(O)N1CCC(F)C1=O.
What is the InChIKey of 3-fluoro-2-oxopyrrolidine-1-carboxylic acid?
The InChIKey is NENMSFGRSKQPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO3/c6-3-1-2-7(4(3)8)5(9)10/h3H,1-2H2,(H,9,10).
What are the key properties of 3-fluoro-2-oxopyrrolidine-1-carboxylic acid?
3-fluoro-2-oxopyrrolidine-1-carboxylic acid has a molecular weight of 147.10 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 151182164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).