2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid

C19H21NO3 — CID 119234039

IUPAC2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)NCC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-14-7-9-16(10-8-14)12-18(21)20-13-17(19(22)23)11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyACGXLJKFHFNFNA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.60
Rot. Bonds7

About 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid

2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 119234039) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
PubChem CID119234039
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)NCC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-14-7-9-16(10-8-14)12-18(21)20-13-17(19(22)23)11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyACGXLJKFHFNFNA-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
2-[(3-methylbut-2-enoylamino)methyl]-3-(4-methylphenyl)propanoic acid
CID 75495627
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 119233717
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
2-[[(2-benzamidoacetyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243253
(2S)-2-benzyl-3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 124697374
(2R)-2-[[[(2R)-2-acetamidopropanoyl]amino]methyl]-3-(4-methylphenyl)propanoic acid
CID 97070336
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
2-benzyl-3-[(3-ethyl-4-methylpentanoyl)amino]propanoic acid
CID 119233521
2-benzyl-3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120525086

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid (CID 119234039) is 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid is Cc1ccc(CC(=O)NCC(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is ACGXLJKFHFNFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-7-9-16(10-8-14)12-18(21)20-13-17(19(22)23)11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 311.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119234039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).