2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid

C20H20N2O5 — CID 108796240

IUPAC2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O5/c23-17(14-5-2-1-3-6-14)7-4-8-18(24)22-16-11-9-15(10-12-16)20(27)21-13-19(25)26/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,27)(H,22,24)(H,25,26)
InChIKeyJBYVBXHVDCRHOY-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.49
Rot. Bonds9

About 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid

2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid (PubChem CID 108796240) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
PubChem CID108796240
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O5/c23-17(14-5-2-1-3-6-14)7-4-8-18(24)22-16-11-9-15(10-12-16)20(27)21-13-19(25)26/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,27)(H,22,24)(H,25,26)
InChIKeyJBYVBXHVDCRHOY-UHFFFAOYSA-N
XLogP2.49
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 108807616
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-[4-(cyclopropanecarbonyl)phenyl]-5-oxo-5-phenylpentanamide
CID 110425861
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
CID 119220498
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid (CID 108796240) is 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is JBYVBXHVDCRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-17(14-5-2-1-3-6-14)7-4-8-18(24)22-16-11-9-15(10-12-16)20(27)21-13-19(25)26/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,27)(H,22,24)(H,25,26).
What are the key properties of 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 108796240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).