benzyl 4-amino-2-benzamido-4-oxobutanoate

C18H18N2O4 — CID 14420399

IUPACbenzyl 4-amino-2-benzamido-4-oxobutanoate
SMILESNC(=O)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H18N2O4/c19-16(21)11-15(20-17(22)14-9-5-2-6-10-14)18(23)24-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,21)(H,20,22)
InChIKeyCQQGPHOUEYLIAC-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.40
Rot. Bonds7

About benzyl 4-amino-2-benzamido-4-oxobutanoate

benzyl 4-amino-2-benzamido-4-oxobutanoate (PubChem CID 14420399) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is benzyl 4-amino-2-benzamido-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl 4-amino-2-benzamido-4-oxobutanoate
PubChem CID14420399
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namebenzyl 4-amino-2-benzamido-4-oxobutanoate
SMILESNC(=O)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H18N2O4/c19-16(21)11-15(20-17(22)14-9-5-2-6-10-14)18(23)24-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,21)(H,20,22)
InChIKeyCQQGPHOUEYLIAC-UHFFFAOYSA-N
XLogP1.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
benzyl (2S)-4-amino-2-[(4-methoxybenzoyl)amino]-4-oxobutanoate
CID 132580689
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
(2-benzamido-3-oxo-3-phenylmethoxypropoxy)-oxo-phenylmethoxyphosphanium
CID 59408791
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl (2R)-4-amino-2-hydroxy-4-oxobutanoate
CID 11770072
N-[(2R)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464831
N-[(2S)-1-amino-3-phenyl-1-sulfanylidenepropan-2-yl]benzamide
CID 125464830
benzyl 2-benzamido-3-hydroxybutanoate
CID 14420261

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-2-benzamido-4-oxobutanoate?
The IUPAC name of benzyl 4-amino-2-benzamido-4-oxobutanoate (CID 14420399) is benzyl 4-amino-2-benzamido-4-oxobutanoate.
What is the SMILES notation for benzyl 4-amino-2-benzamido-4-oxobutanoate?
The canonical SMILES for benzyl 4-amino-2-benzamido-4-oxobutanoate is NC(=O)CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-amino-2-benzamido-4-oxobutanoate?
The InChIKey is CQQGPHOUEYLIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c19-16(21)11-15(20-17(22)14-9-5-2-6-10-14)18(23)24-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H2,19,21)(H,20,22).
What are the key properties of benzyl 4-amino-2-benzamido-4-oxobutanoate?
benzyl 4-amino-2-benzamido-4-oxobutanoate has a molecular weight of 326.35 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-2-benzamido-4-oxobutanoate is sourced from PubChem (CID 14420399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).