lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate

C125H204BrLiN30O34 — CID 163982676

IUPAClithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate
SMILESC.CC(C)(C)OC(=O)N(CCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCCC(=O)O)CCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCN)CCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CCCCBr.CCOC(=O)CCCCCCCCN=[N+]=[N-].CCOC(=O)CCCCN(CCCN=[N+]=[N-])C(=O)OC(C)(C)C.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O.[Li+].[N-]=[N+]=NCCCN.[OH-]
InChIInChI=1S/C26H35N7O6.C26H37N5O6.C15H28N4O4.C13H24N4O4.C13H13N3O3.C11H21N3O2.C10H18O5.C7H13BrO2.C3H8N4.CH4.Li.2H2O/c1-26(2,3)39-25(38)32(15-7-13-28-31-27)14-5-4-10-21(34)29-19-9-6-8-17-18(19)16-33(24(17)37)20-11-12-22(35)30-23(20)36;1-26(2,3)37-25(36)30(15-7-13-27)14-5-4-10-21(32)28-19-9-6-8-17-18(19)16-31(24(17)35)20-11-12-22(33)29-23(20)34;1-5-22-13(20)9-6-7-11-19(12-8-10-17-18-16)14(21)23-15(2,3)4;1-13(2,3)21-12(20)17(10-6-8-15-16-14)9-5-4-7-11(18)19;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-16-11(15)9-7-5-3-4-6-8-10-13-14-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-10-7(9)5-3-4-6-8;4-2-1-3-6-7-5;;;;/h6,8-9,20H,4-5,7,10-16H2,1-3H3,(H,29,34)(H,30,35,36);6,8-9,20H,4-5,7,10-16,27H2,1-3H3,(H,28,32)(H,29,33,34);5-12H2,1-4H3;4-10H2,1-3H3,(H,18,19);1-3,10H,4-6,14H2,(H,15,17,18);2-10H2,1H3;1-6H3;2-6H2,1H3;1-4H2;1H4;;2*1H2/q;;;;;;;;;;+1;;/p-1
InChIKeyYFELZKPIPNBERD-UHFFFAOYSA-M
MW2758.03 g/mol
LogP18.36
Rot. Bonds59

About lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate

lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate (PubChem CID 163982676) has the molecular formula C125H204BrLiN30O34 and a molecular weight of 2758.03 g/mol. Its IUPAC name is lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate
PubChem CID163982676
Molecular FormulaC125H204BrLiN30O34
Molecular Weight2758.03 g/mol
Exact Mass2755.45
IUPAC Namelithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate
SMILESC.CC(C)(C)OC(=O)N(CCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCCC(=O)O)CCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCN)CCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CCCCBr.CCOC(=O)CCCCCCCCN=[N+]=[N-].CCOC(=O)CCCCN(CCCN=[N+]=[N-])C(=O)OC(C)(C)C.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O.[Li+].[N-]=[N+]=NCCCN.[OH-]
InChIInChI=1S/C26H35N7O6.C26H37N5O6.C15H28N4O4.C13H24N4O4.C13H13N3O3.C11H21N3O2.C10H18O5.C7H13BrO2.C3H8N4.CH4.Li.2H2O/c1-26(2,3)39-25(38)32(15-7-13-28-31-27)14-5-4-10-21(34)29-19-9-6-8-17-18(19)16-33(24(17)37)20-11-12-22(35)30-23(20)36;1-26(2,3)37-25(36)30(15-7-13-27)14-5-4-10-21(32)28-19-9-6-8-17-18(19)16-31(24(17)35)20-11-12-22(33)29-23(20)34;1-5-22-13(20)9-6-7-11-19(12-8-10-17-18-16)14(21)23-15(2,3)4;1-13(2,3)21-12(20)17(10-6-8-15-16-14)9-5-4-7-11(18)19;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-16-11(15)9-7-5-3-4-6-8-10-13-14-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-10-7(9)5-3-4-6-8;4-2-1-3-6-7-5;;;;/h6,8-9,20H,4-5,7,10-16H2,1-3H3,(H,29,34)(H,30,35,36);6,8-9,20H,4-5,7,10-16,27H2,1-3H3,(H,28,32)(H,29,33,34);5-12H2,1-4H3;4-10H2,1-3H3,(H,18,19);1-3,10H,4-6,14H2,(H,15,17,18);2-10H2,1H3;1-6H3;2-6H2,1H3;1-4H2;1H4;;2*1H2/q;;;;;;;;;;+1;;/p-1
InChIKeyYFELZKPIPNBERD-UHFFFAOYSA-M
XLogP18.36
TPSA937.19 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds59
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002758.03
LogP ≤ 518.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate with MolForge

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Related Compounds

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid;tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]carbamate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]hexanoate;ethyl 6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate;ethyl 6-bromohexanoate;methane
CID 163912121
tert-butyl N-(3-aminopropyl)-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-7-oxoheptyl]carbamate
CID 162489649
tert-butyl N-(2-azidoethyl)-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropyl]carbamate
CID 162489607
tert-butyl N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]carbamate
CID 162489375
tert-butyl N-[2-(2-aminoethoxy)ethyl]-N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162489460
7-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide;2,2,2-trifluoroacetic acid
CID 121439741
3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;carbanide;4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutanoic acid
CID 164997127
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;2,2,2-trifluoroacetic acid
CID 175815332
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 155292305
tert-butyl N-[1-[2-(2-azidoethoxy)ethoxy]-3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]propan-2-yl]carbamate
CID 168833011

Frequently Asked Questions

What is the IUPAC name of lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate?
The IUPAC name of lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate (CID 163982676) is lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate.
What is the SMILES notation for lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate?
The canonical SMILES for lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate is C.CC(C)(C)OC(=O)N(CCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)CCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCCC(=O)O)CCCN=[N+]=[N-].CC(C)(C)OC(=O)N(CCCN)CCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CCCCBr.CCOC(=O)CCCCCCCCN=[N+]=[N-].CCOC(=O)CCCCN(CCCN=[N+]=[N-])C(=O)OC(C)(C)C.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O.[Li+].[N-]=[N+]=NCCCN.[OH-].
What is the InChIKey of lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate?
The InChIKey is YFELZKPIPNBERD-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H35N7O6.C26H37N5O6.C15H28N4O4.C13H24N4O4.C13H13N3O3.C11H21N3O2.C10H18O5.C7H13BrO2.C3H8N4.CH4.Li.2H2O/c1-26(2,3)39-25(38)32(15-7-13-28-31-27)14-5-4-10-21(34)29-19-9-6-8-17-18(19)16-33(24(17)37)20-11-12-22(35)30-23(20)36;1-26(2,3)37-25(36)30(15-7-13-27)14-5-4-10-21(32)28-19-9-6-8-17-18(19)16-31(24(17)35)20-11-12-22(33)29-23(20)34;1-5-22-13(20)9-6-7-11-19(12-8-10-17-18-16)14(21)23-15(2,3)4;1-13(2,3)21-12(20)17(10-6-8-15-16-14)9-5-4-7-11(18)19;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;1-2-16-11(15)9-7-5-3-4-6-8-10-13-14-12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2-10-7(9)5-3-4-6-8;4-2-1-3-6-7-5;;;;/h6,8-9,20H,4-5,7,10-16H2,1-3H3,(H,29,34)(H,30,35,36);6,8-9,20H,4-5,7,10-16,27H2,1-3H3,(H,28,32)(H,29,33,34);5-12H2,1-4H3;4-10H2,1-3H3,(H,18,19);1-3,10H,4-6,14H2,(H,15,17,18);2-10H2,1H3;1-6H3;2-6H2,1H3;1-4H2;1H4;;2*1H2/q;;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate?
lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate has a molecular weight of 2758.03 g/mol, XLogP of 18.36, 59 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-azidopropan-1-amine;5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid;tert-butyl N-(3-aminopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl N-(3-azidopropyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl 9-azidononanoate;ethyl 5-[3-azidopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate;ethyl 5-bromopentanoate;methane;hydroxide;hydrate is sourced from PubChem (CID 163982676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).