4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid

C20H16N2O5 — CID 174994221

IUPAC4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid
SMILESO=C(O)CCC(=O)NC(C(=O)c1ccccc1)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C20H16N2O5/c23-16(8-9-18(25)26)22-19(20(27)12-4-2-1-3-5-12)13-6-7-15-14(10-13)11-17(24)21-15/h1-7,10-11,19H,8-9H2,(H,22,23)(H,25,26)
InChIKeyAVWPDGPAFJHXLY-UHFFFAOYSA-N
MW364.36 g/mol
LogP0.53
Rot. Bonds7

About 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid

4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid (PubChem CID 174994221) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid
PubChem CID174994221
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid
SMILESO=C(O)CCC(=O)NC(C(=O)c1ccccc1)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C20H16N2O5/c23-16(8-9-18(25)26)22-19(20(27)12-4-2-1-3-5-12)13-6-7-15-14(10-13)11-17(24)21-15/h1-7,10-11,19H,8-9H2,(H,22,23)(H,25,26)
InChIKeyAVWPDGPAFJHXLY-UHFFFAOYSA-N
XLogP0.53
TPSA112.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzylindol-2-one
CID 68714216
3-[2-carboxyethyl(methyl)amino]-4-oxo-4-phenylbutanoic acid
CID 82322284
indol-2-one;phenol
CID 175483332
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
4-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 146014920
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
5-hydroxy-6-oxo-6-phenylhexanoic acid
CID 151820030
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid?
The IUPAC name of 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid (CID 174994221) is 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid is O=C(O)CCC(=O)NC(C(=O)c1ccccc1)c1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid?
The InChIKey is AVWPDGPAFJHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-16(8-9-18(25)26)22-19(20(27)12-4-2-1-3-5-12)13-6-7-15-14(10-13)11-17(24)21-15/h1-7,10-11,19H,8-9H2,(H,22,23)(H,25,26).
What are the key properties of 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid?
4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid has a molecular weight of 364.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[2-oxo-1-(2-oxoindol-5-yl)-2-phenylethyl]amino]butanoic acid is sourced from PubChem (CID 174994221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).