dibenzyl (2S)-2-benzamidobutanedioate

C25H23NO5 — CID 14420333

IUPACdibenzyl (2S)-2-benzamidobutanedioate
SMILESO=C(C[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H23NO5/c27-23(30-17-19-10-4-1-5-11-19)16-22(26-24(28)21-14-8-3-9-15-21)25(29)31-18-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,28)/t22-/m0/s1
InChIKeyYDCNWUHEWDCOLI-QFIPXVFZSA-N
MW417.46 g/mol
LogP3.66
Rot. Bonds9

About dibenzyl (2S)-2-benzamidobutanedioate

dibenzyl (2S)-2-benzamidobutanedioate (PubChem CID 14420333) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is dibenzyl (2S)-2-benzamidobutanedioate.

Molecular Properties

Compound Namedibenzyl (2S)-2-benzamidobutanedioate
PubChem CID14420333
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Namedibenzyl (2S)-2-benzamidobutanedioate
SMILESO=C(C[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H23NO5/c27-23(30-17-19-10-4-1-5-11-19)16-22(26-24(28)21-14-8-3-9-15-21)25(29)31-18-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,28)/t22-/m0/s1
InChIKeyYDCNWUHEWDCOLI-QFIPXVFZSA-N
XLogP3.66
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-amino-2-benzamido-4-oxobutanoate
CID 14420399
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
dibenzyl (2R)-2-[[3,6-diamino-5-[[(2R)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]carbamoyl]pyrazine-2-carbonyl]amino]butanedioate
CID 53386919
(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium
CID 59408791
dibenzyl (2R)-2-[[(2S)-4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
CID 99653681
benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
CID 132580689
dibenzyl (2S)-2-(cyclopenta-2,4-diene-1-carbonylamino)butanedioate
CID 101092020
dibenzyl (2R)-2-[(2-acetamidoacetyl)amino]butanedioate
CID 7322838
dibenzyl (2S)-2-(methoxyamino)butanedioate
CID 139710290
dibenzyl 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioate
CID 4086871
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417

Frequently Asked Questions

What is the IUPAC name of dibenzyl (2S)-2-benzamidobutanedioate?
The IUPAC name of dibenzyl (2S)-2-benzamidobutanedioate (CID 14420333) is dibenzyl (2S)-2-benzamidobutanedioate.
What is the SMILES notation for dibenzyl (2S)-2-benzamidobutanedioate?
The canonical SMILES for dibenzyl (2S)-2-benzamidobutanedioate is O=C(C[C@H](NC(=O)c1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl (2S)-2-benzamidobutanedioate?
The InChIKey is YDCNWUHEWDCOLI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23NO5/c27-23(30-17-19-10-4-1-5-11-19)16-22(26-24(28)21-14-8-3-9-15-21)25(29)31-18-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,28)/t22-/m0/s1.
What are the key properties of dibenzyl (2S)-2-benzamidobutanedioate?
dibenzyl (2S)-2-benzamidobutanedioate has a molecular weight of 417.46 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2S)-2-benzamidobutanedioate is sourced from PubChem (CID 14420333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).