tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium

C139H217N18O37Pd- — CID 159210480

IUPACtert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium
SMILESCC(=O)O[C@H](C)C(C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.CC(=O)O[C@H](C)C(C(=O)N1CCCC1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.CC(=O)O[C@H](C)[C@H](NC(=O)C1(CO)CCCN1C(=O)OC(C)(C)C)C(=O)N1CCCC1.CC(=O)O[C@H](C)[C@H](NC(=O)C1(COCc2ccccc2)CCCN1C(=O)OC(C)(C)C)C(=O)N1CCCC1.CC(C)(C)OC(=O)N1CCCC1(COCc1ccccc1)C(=O)O.C[C@@H](O)C(C(=O)N1CCCC1)N1CC2(CCCC2C(=O)OC(C)(C)C)C1=O.C[C@@H](O)C(C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.[CH3-].[Pd]
InChIInChI=1S/C28H41N3O7.C21H35N3O7.C21H33N3O6.C20H32N2O5.C18H25NO5.C16H25N3O4.C14H23N3O3.CH3.Pd/c1-20(37-21(2)32)23(24(33)30-15-9-10-16-30)29-25(34)28(19-36-18-22-12-7-6-8-13-22)14-11-17-31(28)26(35)38-27(3,4)5;1-14(30-15(2)26)16(17(27)23-10-6-7-11-23)22-18(28)21(13-25)9-8-12-24(21)19(29)31-20(3,4)5;1-14(29-15(2)25)16(17(26)22-10-6-7-11-22)23-13-21(18(23)27)9-8-12-24(21)19(28)30-20(3,4)5;1-13(23)15(16(24)21-10-5-6-11-21)22-12-20(18(22)26)9-7-8-14(20)17(25)27-19(2,3)4;1-17(2,3)24-16(22)19-11-7-10-18(19,15(20)21)13-23-12-14-8-5-4-6-9-14;1-11(23-12(2)20)13(14(21)18-8-3-4-9-18)19-10-16(15(19)22)6-5-7-17-16;1-10(18)11(12(19)16-7-2-3-8-16)17-9-14(13(17)20)5-4-6-15-14;;/h6-8,12-13,20,23H,9-11,14-19H2,1-5H3,(H,29,34);14,16,25H,6-13H2,1-5H3,(H,22,28);14,16H,6-13H2,1-5H3;13-15,23H,5-12H2,1-4H3;4-6,8-9H,7,10-13H2,1-3H3,(H,20,21);11,13,17H,3-10H2,1-2H3;10-11,15,18H,2-9H2,1H3;1H3;/q;;;;;;;-1;/t20-,23+,28?;14-,16+,21?;14-,16?,21?;13-,14?,15?,20?;;11-,13?,16?;10-,11?,14?;;/m1111.11../s1
InChIKeyYXDFSUKGRZRXAQ-QRTNFNJDSA-N
MW2838.77 g/mol
LogP9.43
Rot. Bonds35

About tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium

tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium (PubChem CID 159210480) has the molecular formula C139H217N18O37Pd- and a molecular weight of 2838.77 g/mol. Its IUPAC name is tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium.

Molecular Properties

Compound Nametert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium
PubChem CID159210480
Molecular FormulaC139H217N18O37Pd-
Molecular Weight2838.77 g/mol
Exact Mass2836.47
IUPAC Nametert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium
SMILESCC(=O)O[C@H](C)C(C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.CC(=O)O[C@H](C)C(C(=O)N1CCCC1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.CC(=O)O[C@H](C)[C@H](NC(=O)C1(CO)CCCN1C(=O)OC(C)(C)C)C(=O)N1CCCC1.CC(=O)O[C@H](C)[C@H](NC(=O)C1(COCc2ccccc2)CCCN1C(=O)OC(C)(C)C)C(=O)N1CCCC1.CC(C)(C)OC(=O)N1CCCC1(COCc1ccccc1)C(=O)O.C[C@@H](O)C(C(=O)N1CCCC1)N1CC2(CCCC2C(=O)OC(C)(C)C)C1=O.C[C@@H](O)C(C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.[CH3-].[Pd]
InChIInChI=1S/C28H41N3O7.C21H35N3O7.C21H33N3O6.C20H32N2O5.C18H25NO5.C16H25N3O4.C14H23N3O3.CH3.Pd/c1-20(37-21(2)32)23(24(33)30-15-9-10-16-30)29-25(34)28(19-36-18-22-12-7-6-8-13-22)14-11-17-31(28)26(35)38-27(3,4)5;1-14(30-15(2)26)16(17(27)23-10-6-7-11-23)22-18(28)21(13-25)9-8-12-24(21)19(29)31-20(3,4)5;1-14(29-15(2)25)16(17(26)22-10-6-7-11-22)23-13-21(18(23)27)9-8-12-24(21)19(28)30-20(3,4)5;1-13(23)15(16(24)21-10-5-6-11-21)22-12-20(18(22)26)9-7-8-14(20)17(25)27-19(2,3)4;1-17(2,3)24-16(22)19-11-7-10-18(19,15(20)21)13-23-12-14-8-5-4-6-9-14;1-11(23-12(2)20)13(14(21)18-8-3-4-9-18)19-10-16(15(19)22)6-5-7-17-16;1-10(18)11(12(19)16-7-2-3-8-16)17-9-14(13(17)20)5-4-6-15-14;;/h6-8,12-13,20,23H,9-11,14-19H2,1-5H3,(H,29,34);14,16,25H,6-13H2,1-5H3,(H,22,28);14,16H,6-13H2,1-5H3;13-15,23H,5-12H2,1-4H3;4-6,8-9H,7,10-13H2,1-3H3,(H,20,21);11,13,17H,3-10H2,1-2H3;10-11,15,18H,2-9H2,1H3;1H3;/q;;;;;;;-1;/t20-,23+,28?;14-,16+,21?;14-,16?,21?;13-,14?,15?,20?;;11-,13?,16?;10-,11?,14?;;/m1111.11../s1
InChIKeyYXDFSUKGRZRXAQ-QRTNFNJDSA-N
XLogP9.43
TPSA651.47 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.77
LogP ≤ 59.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium
CID 159212907
tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 90330029
tert-butyl 2-[(3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 139327786
tert-butyl 2-[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate
CID 154587292
tert-butyl 2-[(3-hydroxy-1-methoxy-1-oxobutan-2-yl)carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123620552
acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde
CID 159419469
tert-butyl 2-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-(hydroxymethyl)-2-[(3S,4R)-4-phenylmethoxy-3-phenylmethoxycarbonylpentanoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl 2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl 3-oxo-2-[(2S,3R)-1-oxo-1,3-bis(phenylmethoxy)butan-2-yl]-2,5-diazaspiro[3.4]octane-5-carboxylate;carbanide;chloromethoxymethylbenzene;hydron;2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;methyl (2S)-pyrrolidine-2-carboxylate;palladium;(2S)-pyrrolidine-2-carboxylic acid
CID 160529068
[(3S)-4-amino-4-oxo-3-[[2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]butan-2-yl] acetate;benzyl 2-[2-[[(2S)-3-acetyloxy-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;2-(3-oxo-5-phenylmethoxycarbonyl-2,5-diazaspiro[3.4]octan-2-yl)acetic acid
CID 162096013
2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
CID 121304107
tert-butyl 2-(methylcarbamoyl)-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123270754
tert-butyl 2-[(2S,3R)-3-hydroxy-1-(1,2,4-oxadiazol-5-ylmethylamino)-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(2S,3R)-3-hydroxy-1-(1,3-oxazol-2-ylmethylamino)-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-N-(1,3-oxazol-2-ylmethyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide
CID 167639988
3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium?
The IUPAC name of tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium (CID 159210480) is tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium.
What is the SMILES notation for tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium?
The canonical SMILES for tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium is CC(=O)O[C@H](C)C(C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.CC(=O)O[C@H](C)C(C(=O)N1CCCC1)N1CC2(CCCN2C(=O)OC(C)(C)C)C1=O.CC(=O)O[C@H](C)[C@H](NC(=O)C1(CO)CCCN1C(=O)OC(C)(C)C)C(=O)N1CCCC1.CC(=O)O[C@H](C)[C@H](NC(=O)C1(COCc2ccccc2)CCCN1C(=O)OC(C)(C)C)C(=O)N1CCCC1.CC(C)(C)OC(=O)N1CCCC1(COCc1ccccc1)C(=O)O.C[C@@H](O)C(C(=O)N1CCCC1)N1CC2(CCCC2C(=O)OC(C)(C)C)C1=O.C[C@@H](O)C(C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.[CH3-].[Pd].
What is the InChIKey of tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium?
The InChIKey is YXDFSUKGRZRXAQ-QRTNFNJDSA-N. The full InChI is InChI=1S/C28H41N3O7.C21H35N3O7.C21H33N3O6.C20H32N2O5.C18H25NO5.C16H25N3O4.C14H23N3O3.CH3.Pd/c1-20(37-21(2)32)23(24(33)30-15-9-10-16-30)29-25(34)28(19-36-18-22-12-7-6-8-13-22)14-11-17-31(28)26(35)38-27(3,4)5;1-14(30-15(2)26)16(17(27)23-10-6-7-11-23)22-18(28)21(13-25)9-8-12-24(21)19(29)31-20(3,4)5;1-14(29-15(2)25)16(17(26)22-10-6-7-11-22)23-13-21(18(23)27)9-8-12-24(21)19(28)30-20(3,4)5;1-13(23)15(16(24)21-10-5-6-11-21)22-12-20(18(22)26)9-7-8-14(20)17(25)27-19(2,3)4;1-17(2,3)24-16(22)19-11-7-10-18(19,15(20)21)13-23-12-14-8-5-4-6-9-14;1-11(23-12(2)20)13(14(21)18-8-3-4-9-18)19-10-16(15(19)22)6-5-7-17-16;1-10(18)11(12(19)16-7-2-3-8-16)17-9-14(13(17)20)5-4-6-15-14;;/h6-8,12-13,20,23H,9-11,14-19H2,1-5H3,(H,29,34);14,16,25H,6-13H2,1-5H3,(H,22,28);14,16H,6-13H2,1-5H3;13-15,23H,5-12H2,1-4H3;4-6,8-9H,7,10-13H2,1-3H3,(H,20,21);11,13,17H,3-10H2,1-2H3;10-11,15,18H,2-9H2,1H3;1H3;/q;;;;;;;-1;/t20-,23+,28?;14-,16+,21?;14-,16?,21?;13-,14?,15?,20?;;11-,13?,16?;10-,11?,14?;;/m1111.11../s1.
What are the key properties of tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium?
tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium has a molecular weight of 2838.77 g/mol, XLogP of 9.43, 35 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium is sourced from PubChem (CID 159210480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).