(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))

C61H78N8O15Rb2S3 — CID 158213777

IUPAC(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))
SMILESC[N-]C(=O)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(C)cc2)C1.C[NH-].Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1.[Rb+].[Rb+]
InChIInChI=1S/C28H28N2O6S.C18H26N2O6S.C14H21N3O3S.CH4N.2Rb/c1-18-10-12-21(13-11-18)37(34,35)29-20-14-19(27(31)32)15-30(16-20)28(33)36-17-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-12-5-7-15(8-6-12)27(24,25)19-14-9-13(16(21)22)10-20(11-14)17(23)26-18(2,3)4;1-10-3-5-13(6-4-10)21(19,20)17-12-7-11(8-16-9-12)14(18)15-2;1-2;;/h2-13,19-20,26,29H,14-17H2,1H3,(H,31,32);5-8,13-14,19H,9-11H2,1-4H3,(H,21,22);3-6,11-12,16-17H,7-9H2,1-2H3,(H,15,18);2H,1H3;;/q;;;-1;2*+1/p-1/t19-,20+;13-,14+;11-,12+;;;/m000.../s1
InChIKeyGCJVEKSUDLFFFB-FAJRQJKZSA-M
MW1430.47 g/mol
LogP1.44
Rot. Bonds14

About (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))

(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)) (PubChem CID 158213777) has the molecular formula C61H78N8O15Rb2S3 and a molecular weight of 1430.47 g/mol. Its IUPAC name is (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)).

Molecular Properties

Compound Name(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))
PubChem CID158213777
Molecular FormulaC61H78N8O15Rb2S3
Molecular Weight1430.47 g/mol
Exact Mass1428.30
IUPAC Name(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))
SMILESC[N-]C(=O)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(C)cc2)C1.C[NH-].Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1.[Rb+].[Rb+]
InChIInChI=1S/C28H28N2O6S.C18H26N2O6S.C14H21N3O3S.CH4N.2Rb/c1-18-10-12-21(13-11-18)37(34,35)29-20-14-19(27(31)32)15-30(16-20)28(33)36-17-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-12-5-7-15(8-6-12)27(24,25)19-14-9-13(16(21)22)10-20(11-14)17(23)26-18(2,3)4;1-10-3-5-13(6-4-10)21(19,20)17-12-7-11(8-16-9-12)14(18)15-2;1-2;;/h2-13,19-20,26,29H,14-17H2,1H3,(H,31,32);5-8,13-14,19H,9-11H2,1-4H3,(H,21,22);3-6,11-12,16-17H,7-9H2,1-2H3,(H,15,18);2H,1H3;;/q;;;-1;2*+1/p-1/t19-,20+;13-,14+;11-,12+;;;/m000.../s1
InChIKeyGCJVEKSUDLFFFB-FAJRQJKZSA-M
XLogP1.44
TPSA339.19 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.47
LogP ≤ 51.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)) with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl (3R,5S)-3-[(4-methylphenyl)sulfonylamino]-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 71601476
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-3-carboxylic acid
CID 136575884
(3S,5S)-5-[(4-methylphenyl)sulfonylamino]piperidine-1,3-dicarboxylic acid
CID 90906612
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
tert-butyl 3-(aminomethyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 155892700
tert-butyl (3S,4S)-3,4-bis[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate
CID 169122956
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 23397551
3-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazolidine-4-carboxylic acid
CID 17040140
(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622
tert-butyl (3aS,4S,6aR)-5-methylidene-4-[(4-methylphenyl)sulfonylamino]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 11069233
tert-butyl (3aS,4S,5S,6aR)-5-(hydroxymethyl)-4-[(4-methylphenyl)sulfonylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 10862493

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))?
The IUPAC name of (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)) (CID 158213777) is (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)).
What is the SMILES notation for (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))?
The canonical SMILES for (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)) is C[N-]C(=O)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(C)cc2)C1.C[NH-].Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C2)cc1.Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1.[Rb+].[Rb+].
What is the InChIKey of (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))?
The InChIKey is GCJVEKSUDLFFFB-FAJRQJKZSA-M. The full InChI is InChI=1S/C28H28N2O6S.C18H26N2O6S.C14H21N3O3S.CH4N.2Rb/c1-18-10-12-21(13-11-18)37(34,35)29-20-14-19(27(31)32)15-30(16-20)28(33)36-17-26-24-8-4-2-6-22(24)23-7-3-5-9-25(23)26;1-12-5-7-15(8-6-12)27(24,25)19-14-9-13(16(21)22)10-20(11-14)17(23)26-18(2,3)4;1-10-3-5-13(6-4-10)21(19,20)17-12-7-11(8-16-9-12)14(18)15-2;1-2;;/h2-13,19-20,26,29H,14-17H2,1H3,(H,31,32);5-8,13-14,19H,9-11H2,1-4H3,(H,21,22);3-6,11-12,16-17H,7-9H2,1-2H3,(H,15,18);2H,1H3;;/q;;;-1;2*+1/p-1/t19-,20+;13-,14+;11-,12+;;;/m000.../s1.
What are the key properties of (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+))?
(3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)) has a molecular weight of 1430.47 g/mol, XLogP of 1.44, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxylic acid;methylazanide;methyl-[(3S,5R)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carbonyl]azanide;(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;bis(rubidium(1+)) is sourced from PubChem (CID 158213777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).