2-phenyl-3-(3-phenylbutanoylamino)propanoic acid

C19H21NO3 — CID 119254594

IUPAC2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
SMILESCC(CC(=O)NCC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(15-8-4-2-5-9-15)12-18(21)20-13-17(19(22)23)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyUGEBDOASEPAWPQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.16
Rot. Bonds7

About 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid

2-phenyl-3-(3-phenylbutanoylamino)propanoic acid (PubChem CID 119254594) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
PubChem CID119254594
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
SMILESCC(CC(=O)NCC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(15-8-4-2-5-9-15)12-18(21)20-13-17(19(22)23)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyUGEBDOASEPAWPQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-3-(3-phenylbutanoylamino)propanoic 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

3-(4-methylpentanoylamino)-2-phenylpropanoic acid
CID 62883511
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
3-[[2-(butan-2-ylamino)acetyl]amino]-2-phenylpropanoic acid
CID 62884693
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254729
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
3-[(3-methyl-3-phenylbutanoyl)amino]-2-phenylpropanoic acid
CID 119255037
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid (CID 119254594) is 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid is CC(CC(=O)NCC(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid?
The InChIKey is UGEBDOASEPAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(15-8-4-2-5-9-15)12-18(21)20-13-17(19(22)23)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid?
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3-phenylbutanoylamino)propanoic acid is sourced from PubChem (CID 119254594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).