tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride

C97H148ClN11O27 — CID 158483435

About tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride

tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride (PubChem CID 158483435) has the molecular formula C97H148ClN11O27 and a molecular weight of 1935.75 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride
• PubChem CID: 158483435
• Molecular Formula: C97H148ClN11O27
• Molecular Weight: 1935.75 g/mol
• Exact Mass: 1934.02
• IUPAC Name: tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride
• SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.C[C@H]([NH3+])C(=O)OCc1ccccc1.[Cl-]
• InChI: InChI=1S/C26H37N3O6.C21H30N2O5.C19H31N3O6.C11H19NO4.C10H17NO4.C10H13NO2.ClH/c1-18(24(32)34-17-19-11-6-5-7-12-19)27-22(30)20-13-8-9-15-28(20)23(31)21-14-10-16-29(21)25(33)35-26(2,3)4;1-15(19(25)27-14-16-10-6-5-7-11-16)22-18(24)17-12-8-9-13-23(17)20(26)28-21(2,3)4;1-12(17(25)26)20-15(23)13-8-5-6-10-21(13)16(24)14-9-7-11-22(14)18(27)28-19(2,3)4;1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h5-7,11-12,18,20-21H,8-10,13-17H2,1-4H3,(H,27,30);5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,22,24);12-14H,5-11H2,1-4H3,(H,20,23)(H,25,26);8H,4-7H2,1-3H3,(H,13,14);7H,4-6H2,1-3H3,(H,12,13);2-6,8H,7,11H2,1H3;1H/t18-,20-,21-;15-,17-;12-,13-,14-;8-;7-;8-;/m000000./s1
• InChIKey: FCCYARALTNISKQ-QYAFOZOJSA-N
• XLogP: 8.09
• TPSA: 494.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.75
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride?

The IUPAC name of tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride (CID 158483435) is tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride.

What is the SMILES notation for tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride?

The canonical SMILES for tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride is CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.C[C@H]([NH3+])C(=O)OCc1ccccc1.[Cl-].

What is the InChIKey of tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride?

The InChIKey is FCCYARALTNISKQ-QYAFOZOJSA-N. The full InChI is InChI=1S/C26H37N3O6.C21H30N2O5.C19H31N3O6.C11H19NO4.C10H17NO4.C10H13NO2.ClH/c1-18(24(32)34-17-19-11-6-5-7-12-19)27-22(30)20-13-8-9-15-28(20)23(31)21-14-10-16-29(21)25(33)35-26(2,3)4;1-15(19(25)27-14-16-10-6-5-7-11-16)22-18(24)17-12-8-9-13-23(17)20(26)28-21(2,3)4;1-12(17(25)26)20-15(23)13-8-5-6-10-21(13)16(24)14-9-7-11-22(14)18(27)28-19(2,3)4;1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h5-7,11-12,18,20-21H,8-10,13-17H2,1-4H3,(H,27,30);5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,22,24);12-14H,5-11H2,1-4H3,(H,20,23)(H,25,26);8H,4-7H2,1-3H3,(H,13,14);7H,4-6H2,1-3H3,(H,12,13);2-6,8H,7,11H2,1H3;1H/t18-,20-,21-;15-,17-;12-,13-,14-;8-;7-;8-;/m000000./s1.

What are the key properties of tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride?

tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride has a molecular weight of 1935.75 g/mol, XLogP of 8.09, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]piperidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]azanium;chloride is sourced from PubChem (CID 158483435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).