2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid

C20H23NO3 — CID 120528796

IUPAC2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
SMILESCc1cc(C)c(CC(=O)NCC(C(=O)O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-13-9-14(2)17(15(3)10-13)11-19(22)21-12-18(20(23)24)16-7-5-4-6-8-16/h4-10,18H,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyJWSUZVLWHGBKOR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.14
Rot. Bonds6

About 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid

2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid (PubChem CID 120528796) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
PubChem CID120528796
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
SMILESCc1cc(C)c(CC(=O)NCC(C(=O)O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-13-9-14(2)17(15(3)10-13)11-19(22)21-12-18(20(23)24)16-7-5-4-6-8-16/h4-10,18H,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyJWSUZVLWHGBKOR-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
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
(2S)-4-oxo-2-phenyl-4-(2,4,6-trimethylanilino)butanoic acid
CID 40808566
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-2-phenylpropanoic acid
CID 120528892
(2R)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221649
(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221650

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid (CID 120528796) is 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid is Cc1cc(C)c(CC(=O)NCC(C(=O)O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid?
The InChIKey is JWSUZVLWHGBKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-9-14(2)17(15(3)10-13)11-19(22)21-12-18(20(23)24)16-7-5-4-6-8-16/h4-10,18H,11-12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid?
2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 120528796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).