2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid

C16H19FN2O4 — CID 19709651

IUPAC2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(C(=O)N2CCOCC2)NC1c1ccccc1F
InChIInChI=1S/C16H19FN2O4/c17-12-4-2-1-3-10(12)14-11(16(21)22)9-13(18-14)15(20)19-5-7-23-8-6-19/h1-4,11,13-14,18H,5-9H2,(H,21,22)
InChIKeyLIKWMZUTIPDPCV-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.79
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid

2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 19709651) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID19709651
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(C(=O)N2CCOCC2)NC1c1ccccc1F
InChIInChI=1S/C16H19FN2O4/c17-12-4-2-1-3-10(12)14-11(16(21)22)9-13(18-14)15(20)19-5-7-23-8-6-19/h1-4,11,13-14,18H,5-9H2,(H,21,22)
InChIKeyLIKWMZUTIPDPCV-UHFFFAOYSA-N
XLogP0.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 19709651) is 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(C(=O)N2CCOCC2)NC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LIKWMZUTIPDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c17-12-4-2-1-3-10(12)14-11(16(21)22)9-13(18-14)15(20)19-5-7-23-8-6-19/h1-4,11,13-14,18H,5-9H2,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 19709651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).