dibenzyl (2S)-2-anilinobutanedioate

C24H23NO4 — CID 13388978

IUPACdibenzyl (2S)-2-anilinobutanedioate
SMILESO=C(C[C@H](Nc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(28-17-19-10-4-1-5-11-19)16-22(25-21-14-8-3-9-15-21)24(27)29-18-20-12-6-2-7-13-20/h1-15,22,25H,16-18H2/t22-/m0/s1
InChIKeyUEZDGHXLGXMLBS-QFIPXVFZSA-N
MW389.45 g/mol
LogP4.34
Rot. Bonds9

About dibenzyl (2S)-2-anilinobutanedioate

dibenzyl (2S)-2-anilinobutanedioate (PubChem CID 13388978) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is dibenzyl (2S)-2-anilinobutanedioate.

Molecular Properties

Compound Namedibenzyl (2S)-2-anilinobutanedioate
PubChem CID13388978
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namedibenzyl (2S)-2-anilinobutanedioate
SMILESO=C(C[C@H](Nc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(28-17-19-10-4-1-5-11-19)16-22(25-21-14-8-3-9-15-21)24(27)29-18-20-12-6-2-7-13-20/h1-15,22,25H,16-18H2/t22-/m0/s1
InChIKeyUEZDGHXLGXMLBS-QFIPXVFZSA-N
XLogP4.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dibenzyl (2S)-2-anilinobutanedioate?
The IUPAC name of dibenzyl (2S)-2-anilinobutanedioate (CID 13388978) is dibenzyl (2S)-2-anilinobutanedioate.
What is the SMILES notation for dibenzyl (2S)-2-anilinobutanedioate?
The canonical SMILES for dibenzyl (2S)-2-anilinobutanedioate is O=C(C[C@H](Nc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl (2S)-2-anilinobutanedioate?
The InChIKey is UEZDGHXLGXMLBS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(28-17-19-10-4-1-5-11-19)16-22(25-21-14-8-3-9-15-21)24(27)29-18-20-12-6-2-7-13-20/h1-15,22,25H,16-18H2/t22-/m0/s1.
What are the key properties of dibenzyl (2S)-2-anilinobutanedioate?
dibenzyl (2S)-2-anilinobutanedioate has a molecular weight of 389.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2S)-2-anilinobutanedioate is sourced from PubChem (CID 13388978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).