tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone

C91H104N12O24 — CID 161255444

About tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone

tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 161255444) has the molecular formula C91H104N12O24 and a molecular weight of 1749.89 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone
• PubChem CID: 161255444
• Molecular Formula: C91H104N12O24
• Molecular Weight: 1749.89 g/mol
• Exact Mass: 1748.73
• IUPAC Name: tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone
• SMILES: CC(C)(C)OC(=O)NC1CCCC[C@H]1N.CC(C)(C)OC(=O)NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7NC(=O)OC(C)(C)C)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.NC1CCCC[C@H]1N.O=c1oc(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)oc(=O)c6cc5c4=O)c(=O)c3cc12
• InChI: InChI=1S/C48H54N6O12.C26H14N2O10.C11H22N2O2.C6H14N2/c1-47(2,3)65-45(63)49-31-13-7-9-15-33(31)51-37(55)23-19-27-28(20-24(23)38(51)56)42(60)53(41(27)59)35-17-11-12-18-36(35)54-43(61)29-21-25-26(22-30(29)44(54)62)40(58)52(39(25)57)34-16-10-8-14-32(34)50-46(64)66-48(4,5)6;29-19-9-5-13-14(24(34)37-23(13)33)6-10(9)20(30)27(19)17-3-1-2-4-18(17)28-21(31)11-7-15-16(8-12(11)22(28)32)26(36)38-25(15)35;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;7-5-3-1-2-4-6(5)8/h19-22,31-36H,7-18H2,1-6H3,(H,49,63)(H,50,64);5-8,17-18H,1-4H2;8-9H,4-7,12H2,1-3H3,(H,13,14);5-6H,1-4,7-8H2/t31-,32?,33?,34-,35-,36?;17-,18?;8-,9?;5-,6?/m1111/s1
• InChIKey: VBVRDDUKMNDLLX-AMIAURECSA-N
• XLogP: 6.59
• TPSA: 522.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 9
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1749.89
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone?

The IUPAC name of tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone (CID 161255444) is tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone.

What is the SMILES notation for tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone?

The canonical SMILES for tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone is CC(C)(C)OC(=O)NC1CCCC[C@H]1N.CC(C)(C)OC(=O)NC1CCCC[C@H]1n1c(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)n(C7CCCC[C@H]7NC(=O)OC(C)(C)C)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.NC1CCCC[C@H]1N.O=c1oc(=O)c2cc3c(=O)n(C4CCCC[C@H]4n4c(=O)c5cc6c(=O)oc(=O)c6cc5c4=O)c(=O)c3cc12.

What is the InChIKey of tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone?

The InChIKey is VBVRDDUKMNDLLX-AMIAURECSA-N. The full InChI is InChI=1S/C48H54N6O12.C26H14N2O10.C11H22N2O2.C6H14N2/c1-47(2,3)65-45(63)49-31-13-7-9-15-33(31)51-37(55)23-19-27-28(20-24(23)38(51)56)42(60)53(41(27)59)35-17-11-12-18-36(35)54-43(61)29-21-25-26(22-30(29)44(54)62)40(58)52(39(25)57)34-16-10-8-14-32(34)50-46(64)66-48(4,5)6;29-19-9-5-13-14(24(34)37-23(13)33)6-10(9)20(30)27(19)17-3-1-2-4-18(17)28-21(31)11-7-15-16(8-12(11)22(28)32)26(36)38-25(15)35;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;7-5-3-1-2-4-6(5)8/h19-22,31-36H,7-18H2,1-6H3,(H,49,63)(H,50,64);5-8,17-18H,1-4H2;8-9H,4-7,12H2,1-3H3,(H,13,14);5-6H,1-4,7-8H2/t31-,32?,33?,34-,35-,36?;17-,18?;8-,9?;5-,6?/m1111/s1.

What are the key properties of tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone?

tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 1749.89 g/mol, XLogP of 6.59, 9 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-2-aminocyclohexyl]carbamate;tert-butyl N-[(1R)-2-[2-[(1R)-2-[6-[(1R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]cyclohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]cyclohexyl]carbamate;(2R)-cyclohexane-1,2-diamine;6-[(2R)-2-(1,3,5,7-tetraoxofuro[3,4-f]isoindol-6-yl)cyclohexyl]furo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 161255444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).