(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine

C20H24N2O6 — CID 11710810

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.c1ccc([C@@H]2NCCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H18N2.C4H6O6/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;5-1(3(7)8)2(6)4(9)10/h1-10,15-18H,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-,16-;1-,2-/m01/s1
InChIKeyQRAZFYIXSLXPJQ-OBQOHFDZSA-N
MW388.42 g/mol
LogP0.54
Rot. Bonds5

About (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine

(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine (PubChem CID 11710810) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine
PubChem CID11710810
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine
SMILESO=C(O)[C@H](O)[C@@H](O)C(=O)O.c1ccc([C@@H]2NCCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H18N2.C4H6O6/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;5-1(3(7)8)2(6)4(9)10/h1-10,15-18H,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-,16-;1-,2-/m01/s1
InChIKeyQRAZFYIXSLXPJQ-OBQOHFDZSA-N
XLogP0.54
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 50.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-diphenylpiperazine;hydrochloride
CID 175072756
1,1'-biphenyl;2,3-dihydroxybutanedioic acid
CID 70563433
2-phenylpiperidin-3-ol
CID 18782643
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
bis(benzonitrile);2,3-dihydroxybutanedioic acid
CID 174576912
(4S,5S,14S,15S,24S,25S)-4,5,14,15,24,25-hexakis-phenyl-3,6,13,16,23,26-hexazatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene
CID 101169433
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
CID 76972105
(2S,3S)-2,3-dihydroxybutanedioic acid;(1R)-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 86753649
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine (CID 11710810) is (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine is O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1ccc([C@@H]2NCCN[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine?
The InChIKey is QRAZFYIXSLXPJQ-OBQOHFDZSA-N. The full InChI is InChI=1S/C16H18N2.C4H6O6/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;5-1(3(7)8)2(6)4(9)10/h1-10,15-18H,11-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-,16-;1-,2-/m01/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine?
(2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine has a molecular weight of 388.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;(2S,3S)-2,3-diphenylpiperazine is sourced from PubChem (CID 11710810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).