(2R,3R)-2,3-dibenzylbutanedioic acid

C18H18O4 — CID 10266691

IUPAC(2R,3R)-2,3-dibenzylbutanedioic acid
SMILESO=C(O)[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H18O4/c19-17(20)15(11-13-7-3-1-4-8-13)16(18(21)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
InChIKeyUUTKSMWBUAJELT-HZPDHXFCSA-N
MW298.34 g/mol
LogP2.87
Rot. Bonds7

About (2R,3R)-2,3-dibenzylbutanedioic acid

(2R,3R)-2,3-dibenzylbutanedioic acid (PubChem CID 10266691) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R,3R)-2,3-dibenzylbutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dibenzylbutanedioic acid
PubChem CID10266691
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(2R,3R)-2,3-dibenzylbutanedioic acid
SMILESO=C(O)[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H18O4/c19-17(20)15(11-13-7-3-1-4-8-13)16(18(21)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1
InChIKeyUUTKSMWBUAJELT-HZPDHXFCSA-N
XLogP2.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dibenzylbutanedioic acid?
The IUPAC name of (2R,3R)-2,3-dibenzylbutanedioic acid (CID 10266691) is (2R,3R)-2,3-dibenzylbutanedioic acid.
What is the SMILES notation for (2R,3R)-2,3-dibenzylbutanedioic acid?
The canonical SMILES for (2R,3R)-2,3-dibenzylbutanedioic acid is O=C(O)[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dibenzylbutanedioic acid?
The InChIKey is UUTKSMWBUAJELT-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18O4/c19-17(20)15(11-13-7-3-1-4-8-13)16(18(21)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2,3-dibenzylbutanedioic acid?
(2R,3R)-2,3-dibenzylbutanedioic acid has a molecular weight of 298.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dibenzylbutanedioic acid is sourced from PubChem (CID 10266691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).