tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde

C64H75F4N9O19 — CID 163681965

IUPACtert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)CCCCN.CC(C)(C)OC(=O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F
InChIInChI=1S/C22H27N3O6.C18H19N3O6.C13H9FN2O4.C9H19NO2.C2HF3O/c1-22(2,3)31-17(27)9-4-5-12-23-14-8-6-7-13-18(14)21(30)25(20(13)29)15-10-11-16(26)24-19(15)28;22-13-8-7-12(16(25)20-13)21-17(26)10-4-3-5-11(15(10)18(21)27)19-9-2-1-6-14(23)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)12-8(11)6-4-5-7-10;3-2(4,5)1-6/h6-8,15,23H,4-5,9-12H2,1-3H3,(H,24,26,28);3-5,12,19H,1-2,6-9H2,(H,23,24)(H,20,22,25);1-3,8H,4-5H2,(H,15,17,18);4-7,10H2,1-3H3;1H
InChIKeyJLOICRLHTARRFA-UHFFFAOYSA-N
MW1350.34 g/mol
LogP5.20
Rot. Bonds19

About tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde

tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde (PubChem CID 163681965) has the molecular formula C64H75F4N9O19 and a molecular weight of 1350.34 g/mol. Its IUPAC name is tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Nametert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
PubChem CID163681965
Molecular FormulaC64H75F4N9O19
Molecular Weight1350.34 g/mol
Exact Mass1349.51
IUPAC Nametert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)CCCCN.CC(C)(C)OC(=O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F
InChIInChI=1S/C22H27N3O6.C18H19N3O6.C13H9FN2O4.C9H19NO2.C2HF3O/c1-22(2,3)31-17(27)9-4-5-12-23-14-8-6-7-13-18(14)21(30)25(20(13)29)15-10-11-16(26)24-19(15)28;22-13-8-7-12(16(25)20-13)21-17(26)10-4-3-5-11(15(10)18(21)27)19-9-2-1-6-14(23)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)12-8(11)6-4-5-7-10;3-2(4,5)1-6/h6-8,15,23H,4-5,9-12H2,1-3H3,(H,24,26,28);3-5,12,19H,1-2,6-9H2,(H,23,24)(H,20,22,25);1-3,8H,4-5H2,(H,15,17,18);4-7,10H2,1-3H3;1H
InChIKeyJLOICRLHTARRFA-UHFFFAOYSA-N
XLogP5.20
TPSA407.70 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001350.34
LogP ≤ 55.20
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

tert-butyl 6-aminohexanoate;tert-butyl 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate;6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;formic acid
CID 160565997
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
tert-butyl 3-(2-aminoethoxy)propanoate;tert-butyl 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoate;3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;methane
CID 158909037
4-(4-aminobutylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 146014469
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
4-(2-aminoethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-(2-aminoethyl)carbamate;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(propylamino)isoindole-1,3-dione
CID 160601253
4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 163966525
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentanoic acid
CID 156828353
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
The IUPAC name of tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde (CID 163681965) is tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)CCCCN.CC(C)(C)OC(=O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(F)c3C2=O)C(=O)N1.O=CC(F)(F)F.
What is the InChIKey of tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
The InChIKey is JLOICRLHTARRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6.C18H19N3O6.C13H9FN2O4.C9H19NO2.C2HF3O/c1-22(2,3)31-17(27)9-4-5-12-23-14-8-6-7-13-18(14)21(30)25(20(13)29)15-10-11-16(26)24-19(15)28;22-13-8-7-12(16(25)20-13)21-17(26)10-4-3-5-11(15(10)18(21)27)19-9-2-1-6-14(23)24;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-9(2,3)12-8(11)6-4-5-7-10;3-2(4,5)1-6/h6-8,15,23H,4-5,9-12H2,1-3H3,(H,24,26,28);3-5,12,19H,1-2,6-9H2,(H,23,24)(H,20,22,25);1-3,8H,4-5H2,(H,15,17,18);4-7,10H2,1-3H3;1H.
What are the key properties of tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde?
tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde has a molecular weight of 1350.34 g/mol, XLogP of 5.20, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-aminopentanoate;tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate;5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoic acid;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindole-1,3-dione;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 163681965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).