3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid

C25H25NO3 — CID 68910081

IUPAC3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccccc1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(28)17-18-26-25(29)23-14-8-7-13-21(23)15-16-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22H,15-18H2,(H,26,29)(H,27,28)
InChIKeyNXGYYSLFSYJEDW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.66
Rot. Bonds9

About 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid

3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid (PubChem CID 68910081) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid
PubChem CID68910081
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccccc1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c27-24(28)17-18-26-25(29)23-14-8-7-13-21(23)15-16-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22H,15-18H2,(H,26,29)(H,27,28)
InChIKeyNXGYYSLFSYJEDW-UHFFFAOYSA-N
XLogP4.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
6-[[2-[2-(methylamino)ethyl]benzoyl]amino]hexanoic acid
CID 104547644
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
3-(3,3-diphenylpropylamino)propanoic acid;hydrochloride
CID 10267968
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid
CID 14557712
N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 9398159
4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836135
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
bis(3-benzamidopropanoic acid);piperazine
CID 3045072
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
CID 1494019

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid (CID 68910081) is 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccccc1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid?
The InChIKey is NXGYYSLFSYJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-24(28)17-18-26-25(29)23-14-8-7-13-21(23)15-16-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,22H,15-18H2,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid?
3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid has a molecular weight of 387.48 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 68910081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).