2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid

C9H12FNO3 — CID 164652774

IUPAC2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1CC(C2CC2)CC1=O
InChIInChI=1S/C9H12FNO3/c10-8(9(13)14)11-4-6(3-7(11)12)5-1-2-5/h5-6,8H,1-4H2,(H,13,14)
InChIKeyLVJLTPRBZCZNIW-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.63
Rot. Bonds3

About 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid

2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid (PubChem CID 164652774) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
PubChem CID164652774
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1CC(C2CC2)CC1=O
InChIInChI=1S/C9H12FNO3/c10-8(9(13)14)11-4-6(3-7(11)12)5-1-2-5/h5-6,8H,1-4H2,(H,13,14)
InChIKeyLVJLTPRBZCZNIW-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid (CID 164652774) is 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid is O=C(O)C(F)N1CC(C2CC2)CC1=O.
What is the InChIKey of 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
The InChIKey is LVJLTPRBZCZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c10-8(9(13)14)11-4-6(3-7(11)12)5-1-2-5/h5-6,8H,1-4H2,(H,13,14).
What are the key properties of 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid?
2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid has a molecular weight of 201.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-oxopyrrolidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 164652774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).