4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid

C21H22FNO3 — CID 120547279

IUPAC4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C21H22FNO3/c22-16-8-6-15(7-9-16)18-13-19(18)21(26)23-17(10-11-20(24)25)12-14-4-2-1-3-5-14/h1-9,17-19H,10-13H2,(H,23,26)(H,24,25)
InChIKeySNVSTVNQVKGUHA-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.52
Rot. Bonds8

About 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid

4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid (PubChem CID 120547279) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
PubChem CID120547279
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C21H22FNO3/c22-16-8-6-15(7-9-16)18-13-19(18)21(26)23-17(10-11-20(24)25)12-14-4-2-1-3-5-14/h1-9,17-19H,10-13H2,(H,23,26)(H,24,25)
InChIKeySNVSTVNQVKGUHA-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120546930
4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid
CID 120546604
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
CID 120547282
4-[[2-(aminomethyl)-3-(4-fluorophenyl)propanoyl]amino]-5-phenylpentanoic acid
CID 154870589
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
4-[3-(4-fluorophenyl)butanoylamino]-5-phenylpentanoic acid
CID 120546910
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid (CID 120547279) is 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is SNVSTVNQVKGUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-16-8-6-15(7-9-16)18-13-19(18)21(26)23-17(10-11-20(24)25)12-14-4-2-1-3-5-14/h1-9,17-19H,10-13H2,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid?
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 355.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120547279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).