3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid

C20H23NO3 — CID 119255037

IUPAC3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
SMILESCC(C)(CC(=O)NCC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-20(2,16-11-7-4-8-12-16)13-18(22)21-14-17(19(23)24)15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCXIUWERYJWSWIJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds7

About 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid

3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid (PubChem CID 119255037) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
PubChem CID119255037
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
SMILESCC(C)(CC(=O)NCC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-20(2,16-11-7-4-8-12-16)13-18(22)21-14-17(19(23)24)15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyCXIUWERYJWSWIJ-UHFFFAOYSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic 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

N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-3-phenylbutanamide
CID 139254557
3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095
3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
CID 62878856
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
3-[(2-amino-2-methylbutanoyl)amino]-2-phenylpropanoic acid
CID 79810888
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389
N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid (CID 119255037) is 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid is CC(C)(CC(=O)NCC(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid?
The InChIKey is CXIUWERYJWSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,16-11-7-4-8-12-16)13-18(22)21-14-17(19(23)24)15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid?
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 119255037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).