2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid

C26H25NO5 — CID 14557691

IUPAC2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C26H25NO5/c28-24(27-23-14-8-7-13-22(23)26(31)32)20(15-18-9-3-1-4-10-18)17-21(25(29)30)16-19-11-5-2-6-12-19/h1-14,20-21H,15-17H2,(H,27,28)(H,29,30)(H,31,32)
InChIKeyCEDSQQIFSPOFDF-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.52
Rot. Bonds10

About 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid

2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid (PubChem CID 14557691) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid
PubChem CID14557691
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C26H25NO5/c28-24(27-23-14-8-7-13-22(23)26(31)32)20(15-18-9-3-1-4-10-18)17-21(25(29)30)16-19-11-5-2-6-12-19/h1-14,20-21H,15-17H2,(H,27,28)(H,29,30)(H,31,32)
InChIKeyCEDSQQIFSPOFDF-UHFFFAOYSA-N
XLogP4.52
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
2-(Benzoylamino)benzoic acid
CID 68482
N-Benzoylanthranilate
CID 5091716
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(2-Carboxyacetamido)benzoic acid
CID 439922
Bibr 1532
CID 9927531
N-(3-Methylphenyl)anthranilic acid
CID 85472
N-(4-Methylphenyl)anthranilic acid
CID 152155
Anthranilic acid, N-(p-tert-butylphenyl)-
CID 205081
2-((3-Carboxyphenyl)amino)benzoic acid
CID 97298

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid?
The IUPAC name of 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid (CID 14557691) is 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid?
The canonical SMILES for 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)C(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid?
The InChIKey is CEDSQQIFSPOFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c28-24(27-23-14-8-7-13-22(23)26(31)32)20(15-18-9-3-1-4-10-18)17-21(25(29)30)16-19-11-5-2-6-12-19/h1-14,20-21H,15-17H2,(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid?
2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid has a molecular weight of 431.49 g/mol, XLogP of 4.52, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-4-carboxy-5-phenylpentanoyl)amino]benzoic acid is sourced from PubChem (CID 14557691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).