3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid

C19H21NO4 — CID 45436465

IUPAC3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-24-16-10-8-15(9-11-16)17(13-19(22)23)20-18(21)12-7-14-5-3-2-4-6-14/h2-6,8-11,17H,7,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyDVRUKCCWXIWSGI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds8

About 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid

3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid (PubChem CID 45436465) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
PubChem CID45436465
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-24-16-10-8-15(9-11-16)17(13-19(22)23)20-18(21)12-7-14-5-3-2-4-6-14/h2-6,8-11,17H,7,12-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyDVRUKCCWXIWSGI-UHFFFAOYSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
3-[3-(4-methoxyphenyl)propanoylamino]-3-(4-nitrophenyl)propanoic acid
CID 67673795
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
ethyl 3-(4-methylphenyl)-3-(3-phenylpropanoylamino)propanoate
CID 5010923
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid (CID 45436465) is 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid?
The InChIKey is DVRUKCCWXIWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-24-16-10-8-15(9-11-16)17(13-19(22)23)20-18(21)12-7-14-5-3-2-4-6-14/h2-6,8-11,17H,7,12-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid?
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid is sourced from PubChem (CID 45436465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).