benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

C126H162N8O26 — CID 161229305

About benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid (PubChem CID 161229305) has the molecular formula C126H162N8O26 and a molecular weight of 2204.71 g/mol. Its IUPAC name is benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
• PubChem CID: 161229305
• Molecular Formula: C126H162N8O26
• Molecular Weight: 2204.71 g/mol
• Exact Mass: 2203.16
• IUPAC Name: benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
• SMILES: CCC1CC1(NC(=O)OC(C)(C)C)C(=O)O.CCC1CC1(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc23)CN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc23)CN1CC(=O)OC(C)(C)C)C(=O)O.CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc23)CN1CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
• InChI: InChI=1S/C35H42N2O6.C34H40N2O6.C28H36N2O6.C18H25NO4.C11H19NO4/c1-5-27-19-35(27,33(40)42-22-24-12-7-6-8-13-24)36-32(39)30-18-28(20-37(30)21-31(38)43-34(2,3)4)41-23-26-16-11-15-25-14-9-10-17-29(25)26;1-5-26-19-34(26,31(38)41-21-23-12-7-6-8-13-23)35-30(37)29-18-27(20-36(29)32(39)42-33(2,3)4)40-22-25-16-11-15-24-14-9-10-17-28(24)25;1-5-20-14-28(20,26(33)34)29-25(32)23-13-21(15-30(23)16-24(31)36-27(2,3)4)35-17-19-11-8-10-18-9-6-7-12-22(18)19;1-5-14-11-18(14,19-16(21)23-17(2,3)4)15(20)22-12-13-9-7-6-8-10-13;1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h6-17,27-28,30H,5,18-23H2,1-4H3,(H,36,39);6-17,26-27,29H,5,18-22H2,1-4H3,(H,35,37);6-12,20-21,23H,5,13-17H2,1-4H3,(H,29,32)(H,33,34);6-10,14H,5,11-12H2,1-4H3,(H,19,21);7H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t27-,28+,30-,35+;26-,27+,29-,34+;20-,21+,23-,28+;;/m000../s1
• InChIKey: UYNQUTUTTRCBPD-UQLXBLHZSA-N
• XLogP: 19.63
• TPSA: 433.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.71
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid?

The IUPAC name of benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid (CID 161229305) is benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid.

What is the SMILES notation for benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid?

The canonical SMILES for benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid is CCC1CC1(NC(=O)OC(C)(C)C)C(=O)O.CCC1CC1(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc23)CN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc23)CN1CC(=O)OC(C)(C)C)C(=O)O.CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OCc2cccc3ccccc23)CN1CC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.

What is the InChIKey of benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid?

The InChIKey is UYNQUTUTTRCBPD-UQLXBLHZSA-N. The full InChI is InChI=1S/C35H42N2O6.C34H40N2O6.C28H36N2O6.C18H25NO4.C11H19NO4/c1-5-27-19-35(27,33(40)42-22-24-12-7-6-8-13-24)36-32(39)30-18-28(20-37(30)21-31(38)43-34(2,3)4)41-23-26-16-11-15-25-14-9-10-17-29(25)26;1-5-26-19-34(26,31(38)41-21-23-12-7-6-8-13-23)35-30(37)29-18-27(20-36(29)32(39)42-33(2,3)4)40-22-25-16-11-15-24-14-9-10-17-28(24)25;1-5-20-14-28(20,26(33)34)29-25(32)23-13-21(15-30(23)16-24(31)36-27(2,3)4)35-17-19-11-8-10-18-9-6-7-12-22(18)19;1-5-14-11-18(14,19-16(21)23-17(2,3)4)15(20)22-12-13-9-7-6-8-10-13;1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h6-17,27-28,30H,5,18-23H2,1-4H3,(H,36,39);6-17,26-27,29H,5,18-22H2,1-4H3,(H,35,37);6-12,20-21,23H,5,13-17H2,1-4H3,(H,29,32)(H,33,34);6-10,14H,5,11-12H2,1-4H3,(H,19,21);7H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t27-,28+,30-,35+;26-,27+,29-,34+;20-,21+,23-,28+;;/m000../s1.

What are the key properties of benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid?

benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 2204.71 g/mol, XLogP of 19.63, 37 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate;tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethyl-1-phenylmethoxycarbonylcyclopropyl]carbamoyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-1-carboxylate;cis-benzyl (1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate;cis-(1R,2S)-2-ethyl-1-[[(2S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-(naphthalen-1-ylmethoxy)pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid;2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 161229305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).