4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid

C22H23FN2O4 — CID 120546604

IUPAC4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H23FN2O4/c23-16-6-9-18(10-7-16)25-13-12-19(22(25)29)21(28)24-17(8-11-20(26)27)14-15-4-2-1-3-5-15/h1-7,9-10,17,19H,8,11-14H2,(H,24,28)(H,26,27)
InChIKeyXOVDPUUMVFZLDH-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.77
Rot. Bonds8

About 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid

4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 120546604) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID120546604
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H23FN2O4/c23-16-6-9-18(10-7-16)25-13-12-19(22(25)29)21(28)24-17(8-11-20(26)27)14-15-4-2-1-3-5-15/h1-7,9-10,17,19H,8,11-14H2,(H,24,28)(H,26,27)
InChIKeyXOVDPUUMVFZLDH-UHFFFAOYSA-N
XLogP2.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366393
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
CID 120547282
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120547279
(2R)-2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363163
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
2-[[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243142
N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46159323
4-[3-(4-fluorophenyl)butanoylamino]-5-phenylpentanoic acid
CID 120546910
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
4-[[2-(aminomethyl)-3-(4-fluorophenyl)propanoyl]amino]-5-phenylpentanoic acid
CID 154870589
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid (CID 120546604) is 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)C1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is XOVDPUUMVFZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c23-16-6-9-18(10-7-16)25-13-12-19(22(25)29)21(28)24-17(8-11-20(26)27)14-15-4-2-1-3-5-15/h1-7,9-10,17,19H,8,11-14H2,(H,24,28)(H,26,27).
What are the key properties of 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid?
4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 398.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).