3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid

C26H26N2O6 — CID 13293155

IUPAC3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cc1
InChIInChI=1S/C26H26N2O6/c1-34-21-13-9-19(10-14-21)24(30)27-22(15-17-5-3-2-4-6-17)25(31)28-23(26(32)33)16-18-7-11-20(29)12-8-18/h2-14,22-23,29H,15-16H2,1H3,(H,27,30)(H,28,31)(H,32,33)
InChIKeyMPQGZNHUHOCREQ-UHFFFAOYSA-N
MW462.50 g/mol
LogP2.55
Rot. Bonds10

About 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid

3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid (PubChem CID 13293155) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
PubChem CID13293155
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cc1
InChIInChI=1S/C26H26N2O6/c1-34-21-13-9-19(10-14-21)24(30)27-22(15-17-5-3-2-4-6-17)25(31)28-23(26(32)33)16-18-7-11-20(29)12-8-18/h2-14,22-23,29H,15-16H2,1H3,(H,27,30)(H,28,31)(H,32,33)
InChIKeyMPQGZNHUHOCREQ-UHFFFAOYSA-N
XLogP2.55
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic 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

(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
2-[(4-methoxybenzoyl)amino]-3-[4-(4-methoxybenzoyl)oxyphenyl]propanoic acid
CID 2907634
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
methyl (3S)-3-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-4-(4-hydroxyphenyl)butanoate
CID 70965829
3-[4-(4-hydroxybenzoyl)oxyphenyl]-2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]propanoic acid
CID 76818988
(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 102142469
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18223402
N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 3123999
(2S)-2-[[4-(bromomethyl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 59127039

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid (CID 13293155) is 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid is COc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid?
The InChIKey is MPQGZNHUHOCREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-34-21-13-9-19(10-14-21)24(30)27-22(15-17-5-3-2-4-6-17)25(31)28-23(26(32)33)16-18-7-11-20(29)12-8-18/h2-14,22-23,29H,15-16H2,1H3,(H,27,30)(H,28,31)(H,32,33).
What are the key properties of 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid?
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid has a molecular weight of 462.50 g/mol, XLogP of 2.55, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 13293155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).