(2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate

C56H79N3O11 — CID 161360255

About (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate

(2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate (PubChem CID 161360255) has the molecular formula C56H79N3O11 and a molecular weight of 970.26 g/mol. Its IUPAC name is (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate.

Molecular Properties

• Compound Name: (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate
• PubChem CID: 161360255
• Molecular Formula: C56H79N3O11
• Molecular Weight: 970.26 g/mol
• Exact Mass: 969.57
• IUPAC Name: (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate
• SMILES: CCOC(=O)CCC(Cc1noc(C2CC(CC(C)(C)C)C2)c1C1CC1)C(=O)O.CCOC(=O)CC[C@@H](Cc1noc(C2CC(CC(C)(C)C)C2)c1C1CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C33H44N2O6.C23H35NO5/c1-5-39-28(36)14-13-24(31(37)35-26(20-40-32(35)38)17-21-9-7-6-8-10-21)18-27-29(23-11-12-23)30(41-34-27)25-15-22(16-25)19-33(2,3)4;1-5-28-19(25)9-8-16(22(26)27)12-18-20(15-6-7-15)21(29-24-18)17-10-14(11-17)13-23(2,3)4/h6-10,22-26H,5,11-20H2,1-4H3;14-17H,5-13H2,1-4H3,(H,26,27)/t22?,24-,25?,26-;/m0./s1
• InChIKey: VPBPYFFBURAPET-UDSOZKEISA-N
• XLogP: 11.64
• TPSA: 188.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.26
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate?

The IUPAC name of (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate (CID 161360255) is (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate.

What is the SMILES notation for (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate?

The canonical SMILES for (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate is CCOC(=O)CCC(Cc1noc(C2CC(CC(C)(C)C)C2)c1C1CC1)C(=O)O.CCOC(=O)CC[C@@H](Cc1noc(C2CC(CC(C)(C)C)C2)c1C1CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.

What is the InChIKey of (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate?

The InChIKey is VPBPYFFBURAPET-UDSOZKEISA-N. The full InChI is InChI=1S/C33H44N2O6.C23H35NO5/c1-5-39-28(36)14-13-24(31(37)35-26(20-40-32(35)38)17-21-9-7-6-8-10-21)18-27-29(23-11-12-23)30(41-34-27)25-15-22(16-25)19-33(2,3)4;1-5-28-19(25)9-8-16(22(26)27)12-18-20(15-6-7-15)21(29-24-18)17-10-14(11-17)13-23(2,3)4/h6-10,22-26H,5,11-20H2,1-4H3;14-17H,5-13H2,1-4H3,(H,26,27)/t22?,24-,25?,26-;/m0./s1.

What are the key properties of (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate?

(2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate has a molecular weight of 970.26 g/mol, XLogP of 11.64, 22 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-ethoxy-5-oxopentanoic acid;ethyl (4S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]methyl]-5-oxopentanoate is sourced from PubChem (CID 161360255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).