2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate

C109H129Ac2Cl3N12O29-2 — CID 158296622

About 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate

2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate (PubChem CID 158296622) has the molecular formula C109H129Ac2Cl3N12O29-2 and a molecular weight of 2631.64 g/mol. Its IUPAC name is 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate.

Molecular Properties

• Compound Name: 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate
• PubChem CID: 158296622
• Molecular Formula: C109H129Ac2Cl3N12O29-2
• Molecular Weight: 2631.64 g/mol
• Exact Mass: 2628.86
• IUPAC Name: 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate
• SMILES: CC(=O)NC(Cc1cc(C2CCCN2C(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)no1)C(=O)O.CCOC(=O)C(Cc1cc(C2CCCN2C(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)no1)(NC(C)=O)C(=O)OCC.CCOC(=O)C([NH-])(Cc1cc(C2CCCN2)no1)C(=O)OCC.CCOC(=O)C([NH-])(Cc1cc(C2CCCN2C(=O)OC(C)(C)C)no1)C(=O)OCC.O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)cc1.[Ac].[Ac]
• InChI: InChI=1S/C32H36ClN3O8.C27H28ClN3O6.C20H30N3O7.C15H13ClO3.C15H22N3O5.2Ac/c1-4-41-30(39)32(34-21(3)37,31(40)42-5-2)19-26-18-27(35-44-26)28-7-6-16-36(28)29(38)17-22-10-14-25(15-11-22)43-20-23-8-12-24(33)13-9-23;1-17(32)29-24(27(34)35)15-22-14-23(30-37-22)25-3-2-12-31(25)26(33)13-18-6-10-21(11-7-18)36-16-19-4-8-20(28)9-5-19;1-6-27-16(24)20(21,17(25)28-7-2)12-13-11-14(22-30-13)15-9-8-10-23(15)18(26)29-19(3,4)5;16-13-5-1-12(2-6-13)10-19-14-7-3-11(4-8-14)9-15(17)18;1-3-21-13(19)15(16,14(20)22-4-2)9-10-8-12(18-23-10)11-6-5-7-17-11;;/h8-15,18,28H,4-7,16-17,19-20H2,1-3H3,(H,34,37);4-11,14,24-25H,2-3,12-13,15-16H2,1H3,(H,29,32)(H,34,35);11,15,21H,6-10,12H2,1-5H3;1-8H,9-10H2,(H,17,18);8,11,16-17H,3-7,9H2,1-2H3;;/q;;-1;;-1
• InChIKey: SYLWUDZVSJBFOY-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 552.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 42
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2631.64
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate?

The IUPAC name of 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate (CID 158296622) is 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate.

What is the SMILES notation for 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate?

The canonical SMILES for 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate is CC(=O)NC(Cc1cc(C2CCCN2C(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)no1)C(=O)O.CCOC(=O)C(Cc1cc(C2CCCN2C(=O)Cc2ccc(OCc3ccc(Cl)cc3)cc2)no1)(NC(C)=O)C(=O)OCC.CCOC(=O)C([NH-])(Cc1cc(C2CCCN2)no1)C(=O)OCC.CCOC(=O)C([NH-])(Cc1cc(C2CCCN2C(=O)OC(C)(C)C)no1)C(=O)OCC.O=C(O)Cc1ccc(OCc2ccc(Cl)cc2)cc1.[Ac].[Ac].

What is the InChIKey of 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate?

The InChIKey is SYLWUDZVSJBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O8.C27H28ClN3O6.C20H30N3O7.C15H13ClO3.C15H22N3O5.2Ac/c1-4-41-30(39)32(34-21(3)37,31(40)42-5-2)19-26-18-27(35-44-26)28-7-6-16-36(28)29(38)17-22-10-14-25(15-11-22)43-20-23-8-12-24(33)13-9-23;1-17(32)29-24(27(34)35)15-22-14-23(30-37-22)25-3-2-12-31(25)26(33)13-18-6-10-21(11-7-18)36-16-19-4-8-20(28)9-5-19;1-6-27-16(24)20(21,17(25)28-7-2)12-13-11-14(22-30-13)15-9-8-10-23(15)18(26)29-19(3,4)5;16-13-5-1-12(2-6-13)10-19-14-7-3-11(4-8-14)9-15(17)18;1-3-21-13(19)15(16,14(20)22-4-2)9-10-8-12(18-23-10)11-6-5-7-17-11;;/h8-15,18,28H,4-7,16-17,19-20H2,1-3H3,(H,34,37);4-11,14,24-25H,2-3,12-13,15-16H2,1H3,(H,29,32)(H,34,35);11,15,21H,6-10,12H2,1-5H3;1-8H,9-10H2,(H,17,18);8,11,16-17H,3-7,9H2,1-2H3;;/q;;-1;;-1;;.

What are the key properties of 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate?

2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate has a molecular weight of 2631.64 g/mol, XLogP of 16.61, 42 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-3-[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]propanoic acid;actinium;2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid;[1,3-diethoxy-1,3-dioxo-2-[(3-pyrrolidin-2-yl-1,2-oxazol-5-yl)methyl]propan-2-yl]azanide;[1,3-diethoxy-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]-1,3-dioxopropan-2-yl]azanide;diethyl 2-acetamido-2-[[3-[1-[2-[4-[(4-chlorophenyl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]-1,2-oxazol-5-yl]methyl]propanedioate is sourced from PubChem (CID 158296622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).