3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid

C20H23NO3 — CID 67359751

IUPAC3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(CC(=O)NC(CCc2ccccc2)CC(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-15-7-9-17(10-8-15)13-19(22)21-18(14-20(23)24)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyCLAUQUFPZHGZSJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.13
Rot. Bonds8

About 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid

3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid (PubChem CID 67359751) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
PubChem CID67359751
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(CC(=O)NC(CCc2ccccc2)CC(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-15-7-9-17(10-8-15)13-19(22)21-18(14-20(23)24)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyCLAUQUFPZHGZSJ-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-3-[(2-phenylacetyl)amino]pentanoic acid
CID 67362922
3-(3-carboxypropanoylamino)-5-phenylpentanoic acid
CID 57140323
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
(3S)-3-amino-5-(4-methylphenyl)pentanoic acid
CID 174696804
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid (CID 67359751) is 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid is Cc1ccc(CC(=O)NC(CCc2ccccc2)CC(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is CLAUQUFPZHGZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-7-9-17(10-8-15)13-19(22)21-18(14-20(23)24)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid?
3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 67359751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).