2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid

C24H26N2O7 — CID 129141821

IUPAC2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid
SMILESO=CC(Cc1ccccc1)NC(=O)CC(O)(CC(=O)NC(C=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H26N2O7/c27-15-19(11-17-7-3-1-4-8-17)25-21(29)13-24(33,23(31)32)14-22(30)26-20(16-28)12-18-9-5-2-6-10-18/h1-10,15-16,19-20,33H,11-14H2,(H,25,29)(H,26,30)(H,31,32)
InChIKeyFCXFBNRBFYMLSR-UHFFFAOYSA-N
MW454.48 g/mol
LogP0.44
Rot. Bonds13

About 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid

2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid (PubChem CID 129141821) has the molecular formula C24H26N2O7 and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid
PubChem CID129141821
Molecular FormulaC24H26N2O7
Molecular Weight454.48 g/mol
Exact Mass454.17
IUPAC Name2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid
SMILESO=CC(Cc1ccccc1)NC(=O)CC(O)(CC(=O)NC(C=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H26N2O7/c27-15-19(11-17-7-3-1-4-8-17)25-21(29)13-24(33,23(31)32)14-22(30)26-20(16-28)12-18-9-5-2-6-10-18/h1-10,15-16,19-20,33H,11-14H2,(H,25,29)(H,26,30)(H,31,32)
InChIKeyFCXFBNRBFYMLSR-UHFFFAOYSA-N
XLogP0.44
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)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

N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
CID 170261831
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
CID 18607776
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 18658342
2-(ethylamino)-3-phenylpropanal
CID 3325220
1-(1-oxo-3-phenylpropan-2-yl)-3-(2-phenylethylamino)sulfanylurea
CID 145175412

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid (CID 129141821) is 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid is O=CC(Cc1ccccc1)NC(=O)CC(O)(CC(=O)NC(C=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid?
The InChIKey is FCXFBNRBFYMLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7/c27-15-19(11-17-7-3-1-4-8-17)25-21(29)13-24(33,23(31)32)14-22(30)26-20(16-28)12-18-9-5-2-6-10-18/h1-10,15-16,19-20,33H,11-14H2,(H,25,29)(H,26,30)(H,31,32).
What are the key properties of 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid?
2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid has a molecular weight of 454.48 g/mol, XLogP of 0.44, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid is sourced from PubChem (CID 129141821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).