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

C20H23NO4 — CID 120546662

IUPAC4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(OCC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-15-7-10-18(11-8-15)25-14-19(22)21-17(9-12-20(23)24)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyQYRDVKGXFJSRFT-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.97
Rot. Bonds9

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

4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid (PubChem CID 120546662) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
PubChem CID120546662
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
SMILESCc1ccc(OCC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-15-7-10-18(11-8-15)25-14-19(22)21-17(9-12-20(23)24)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3,(H,21,22)(H,23,24)
InChIKeyQYRDVKGXFJSRFT-UHFFFAOYSA-N
XLogP2.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 71601395
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
(4S)-5-(4-phenylmethoxyphenyl)-4-[3-(3-phenylpropoxy)propanoylamino]pentanoic acid
CID 58929433

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid (CID 120546662) is 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid is Cc1ccc(OCC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid?
The InChIKey is QYRDVKGXFJSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15-7-10-18(11-8-15)25-14-19(22)21-17(9-12-20(23)24)13-16-5-3-2-4-6-16/h2-8,10-11,17H,9,12-14H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid?
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).