4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid

C21H25NO4 — CID 120546722

IUPAC4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
SMILESCOc1ccc(C(C)C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-15(17-8-11-19(26-2)12-9-17)21(25)22-18(10-13-20(23)24)14-16-6-4-3-5-7-16/h3-9,11-12,15,18H,10,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFVZOOYYMKIMTLR-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.39
Rot. Bonds9

About 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid

4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid (PubChem CID 120546722) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
PubChem CID120546722
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
SMILESCOc1ccc(C(C)C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-15(17-8-11-19(26-2)12-9-17)21(25)22-18(10-13-20(23)24)14-16-6-4-3-5-7-16/h3-9,11-12,15,18H,10,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFVZOOYYMKIMTLR-UHFFFAOYSA-N
XLogP3.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
CID 120690192
4-[2-(3-chlorophenyl)propanoylamino]-5-phenylpentanoic acid
CID 120547125
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546697
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
4-[[(2S)-2-phenylpropanoyl]amino]pentanoic acid
CID 120689373

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid (CID 120546722) is 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid is COc1ccc(C(C)C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
The InChIKey is FVZOOYYMKIMTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(17-8-11-19(26-2)12-9-17)21(25)22-18(10-13-20(23)24)14-16-6-4-3-5-7-16/h3-9,11-12,15,18H,10,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).