3-acetamido-3-(4-phenylphenyl)propanoic acid

C17H17NO3 — CID 63649905

IUPAC3-acetamido-3-(4-phenylphenyl)propanoic acid
SMILESCC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-12(19)18-16(11-17(20)21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyCLYHLMPRXPPZIZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.01
Rot. Bonds5

About 3-acetamido-3-(4-phenylphenyl)propanoic acid

3-acetamido-3-(4-phenylphenyl)propanoic acid (PubChem CID 63649905) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-acetamido-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-acetamido-3-(4-phenylphenyl)propanoic acid
PubChem CID63649905
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-acetamido-3-(4-phenylphenyl)propanoic acid
SMILESCC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-12(19)18-16(11-17(20)21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyCLYHLMPRXPPZIZ-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
[2-oxo-2-(4-phenylanilino)ethyl] 3-acetamido-3-phenylpropanoate
CID 5180670
[2-oxo-2-(4-phenylanilino)ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2120872
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
3-acetamido-3-(4-methylsulfonyloxyphenyl)propanoic acid
CID 23034078
benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378852
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
(3R)-3-acetamido-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 78947553

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 3-acetamido-3-(4-phenylphenyl)propanoic acid (CID 63649905) is 3-acetamido-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-acetamido-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-acetamido-3-(4-phenylphenyl)propanoic acid is CC(=O)NC(CC(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-acetamido-3-(4-phenylphenyl)propanoic acid?
The InChIKey is CLYHLMPRXPPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(19)18-16(11-17(20)21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-acetamido-3-(4-phenylphenyl)propanoic acid?
3-acetamido-3-(4-phenylphenyl)propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 63649905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).