3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid

C21H22FNO4 — CID 4915794

IUPAC3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H22FNO4/c22-16-5-3-4-15(12-16)21(26)23-19(13-20(24)25)14-8-10-18(11-9-14)27-17-6-1-2-7-17/h3-5,8-12,17,19H,1-2,6-7,13H2,(H,23,26)(H,24,25)
InChIKeyOZSVTRJKXXKNBO-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.09
Rot. Bonds7

About 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid

3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid (PubChem CID 4915794) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid
PubChem CID4915794
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C21H22FNO4/c22-16-5-3-4-15(12-16)21(26)23-19(13-20(24)25)14-8-10-18(11-9-14)27-17-6-1-2-7-17/h3-5,8-12,17,19H,1-2,6-7,13H2,(H,23,26)(H,24,25)
InChIKeyOZSVTRJKXXKNBO-UHFFFAOYSA-N
XLogP4.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid (CID 4915794) is 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid?
The InChIKey is OZSVTRJKXXKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c22-16-5-3-4-15(12-16)21(26)23-19(13-20(24)25)14-8-10-18(11-9-14)27-17-6-1-2-7-17/h3-5,8-12,17,19H,1-2,6-7,13H2,(H,23,26)(H,24,25).
What are the key properties of 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid?
3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid has a molecular weight of 371.41 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)-3-[(3-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 4915794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).