4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid

C21H25NO4 — CID 120546697

IUPAC4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
SMILESCOc1cccc(CCC(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C21H25NO4/c1-26-19-9-5-8-17(15-19)10-12-20(23)22-18(11-13-21(24)25)14-16-6-3-2-4-7-16/h2-9,15,18H,10-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyDJCPRBOIXUSXDR-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.22
Rot. Bonds10

About 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid

4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid (PubChem CID 120546697) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
PubChem CID120546697
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
SMILESCOc1cccc(CCC(=O)NC(CCC(=O)O)Cc2ccccc2)c1
InChIInChI=1S/C21H25NO4/c1-26-19-9-5-8-17(15-19)10-12-20(23)22-18(11-13-21(24)25)14-16-6-3-2-4-7-16/h2-9,15,18H,10-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyDJCPRBOIXUSXDR-UHFFFAOYSA-N
XLogP3.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
2-[3-(3-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 43353303
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
CID 120690192

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid (CID 120546697) is 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid is COc1cccc(CCC(=O)NC(CCC(=O)O)Cc2ccccc2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
The InChIKey is DJCPRBOIXUSXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-26-19-9-5-8-17(15-19)10-12-20(23)22-18(11-13-21(24)25)14-16-6-3-2-4-7-16/h2-9,15,18H,10-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid?
4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).