3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid

C16H20FNO3 — CID 69407411

IUPAC3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid
SMILESC=CCCC(O)C1C(c2ccc(F)cc2)CCN1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-2-3-4-14(19)15-13(9-10-18(15)16(20)21)11-5-7-12(17)8-6-11/h2,5-8,13-15,19H,1,3-4,9-10H2,(H,20,21)
InChIKeyKSGOOLHIMPZXPY-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.99
Rot. Bonds5

About 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid

3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid (PubChem CID 69407411) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid
PubChem CID69407411
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid
SMILESC=CCCC(O)C1C(c2ccc(F)cc2)CCN1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-2-3-4-14(19)15-13(9-10-18(15)16(20)21)11-5-7-12(17)8-6-11/h2,5-8,13-15,19H,1,3-4,9-10H2,(H,20,21)
InChIKeyKSGOOLHIMPZXPY-UHFFFAOYSA-N
XLogP2.99
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid (CID 69407411) is 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid is C=CCCC(O)C1C(c2ccc(F)cc2)CCN1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KSGOOLHIMPZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-2-3-4-14(19)15-13(9-10-18(15)16(20)21)11-5-7-12(17)8-6-11/h2,5-8,13-15,19H,1,3-4,9-10H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid?
3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(1-hydroxypent-4-enyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69407411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).