4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

C28H34FN3O5 — CID 165139909

IUPAC4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(=O)N1CC(F)CC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C28H34FN3O5/c1-17(2)19-9-11-21(12-10-19)26(20-7-5-4-6-8-20)31-27(36)24-15-22(29)16-32(24)28(37)23(30-18(3)33)13-14-25(34)35/h4-12,17,22-24,26H,13-16H2,1-3H3,(H,30,33)(H,31,36)(H,34,35)
InChIKeyBXCLYNWWEABXSO-UHFFFAOYSA-N
MW511.59 g/mol
LogP3.32
Rot. Bonds10

About 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid (PubChem CID 165139909) has the molecular formula C28H34FN3O5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
PubChem CID165139909
Molecular FormulaC28H34FN3O5
Molecular Weight511.59 g/mol
Exact Mass511.25
IUPAC Name4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
SMILESCC(=O)NC(CCC(=O)O)C(=O)N1CC(F)CC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C28H34FN3O5/c1-17(2)19-9-11-21(12-10-19)26(20-7-5-4-6-8-20)31-27(36)24-15-22(29)16-32(24)28(37)23(30-18(3)33)13-14-25(34)35/h4-12,17,22-24,26H,13-16H2,1-3H3,(H,30,33)(H,31,36)(H,34,35)
InChIKeyBXCLYNWWEABXSO-UHFFFAOYSA-N
XLogP3.32
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid (CID 165139909) is 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid is CC(=O)NC(CCC(=O)O)C(=O)N1CC(F)CC1C(=O)NC(c1ccccc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid?
The InChIKey is BXCLYNWWEABXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O5/c1-17(2)19-9-11-21(12-10-19)26(20-7-5-4-6-8-20)31-27(36)24-15-22(29)16-32(24)28(37)23(30-18(3)33)13-14-25(34)35/h4-12,17,22-24,26H,13-16H2,1-3H3,(H,30,33)(H,31,36)(H,34,35).
What are the key properties of 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid?
4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid has a molecular weight of 511.59 g/mol, XLogP of 3.32, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-[4-fluoro-2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 165139909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).