2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine

C24H29NO8 — CID 163630257

IUPAC2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1
InChIInChI=1S/C20H23NO2.C4H6O6/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;5-1(3(7)8)2(6)4(9)10/h1-6,9-12,18-19,21H,7-8,13-15H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyHVMDFUDHVSVCIG-UHFFFAOYSA-N
MW459.50 g/mol
LogP1.32
Rot. Bonds6

About 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine

2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine (PubChem CID 163630257) has the molecular formula C24H29NO8 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine
PubChem CID163630257
Molecular FormulaC24H29NO8
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC Name2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine
SMILESO=C(O)C(O)C(O)C(=O)O.c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1
InChIInChI=1S/C20H23NO2.C4H6O6/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;5-1(3(7)8)2(6)4(9)10/h1-6,9-12,18-19,21H,7-8,13-15H2;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyHVMDFUDHVSVCIG-UHFFFAOYSA-N
XLogP1.32
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 51.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

Metra
CID 120608
Morpholine, 3,4-dimethyl-2-phenyl-, d-, bitartrate
CID 517314
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-one
CID 16043295
Rac-4-Oxodioxadrol
CID 46907276
(+/-)-4-Hydroxydioxadrol
CID 46907277
(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
CID 52946770
(2S,4R)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
CID 90667068
(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
CID 90667069
(2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidin-4-ol
CID 90667070
Phendimetrazine bitartrate
CID 6446660
2,3-Dihydroxybutanedioic acid--3,4-dimethyl-2-phenylmorpholine (1/1)
CID 202063
3-Pyrrolidinol, 1-(3-hydroxy-3-phenylpropyl)-2-methyl-3-phenyl-, dipropionate (ester), (+)-tartrate
CID 3053126

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine (CID 163630257) is 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine is O=C(O)C(O)C(O)C(=O)O.c1ccc(C2(c3ccccc3)OCC(C3CCCCN3)O2)cc1.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine?
The InChIKey is HVMDFUDHVSVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.C4H6O6/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;5-1(3(7)8)2(6)4(9)10/h1-6,9-12,18-19,21H,7-8,13-15H2;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine?
2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine has a molecular weight of 459.50 g/mol, XLogP of 1.32, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine is sourced from PubChem (CID 163630257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).