5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid

C17H19NO5 — CID 123498483

IUPAC5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid
SMILESCOC(=O)C(CCC(=O)O)NC(=O)C=CC=Cc1ccccc1
InChIInChI=1S/C17H19NO5/c1-23-17(22)14(11-12-16(20)21)18-15(19)10-6-5-9-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyWFEVCSNGPHFJFI-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.78
Rot. Bonds8

About 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid

5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid (PubChem CID 123498483) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid
PubChem CID123498483
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid
SMILESCOC(=O)C(CCC(=O)O)NC(=O)C=CC=Cc1ccccc1
InChIInChI=1S/C17H19NO5/c1-23-17(22)14(11-12-16(20)21)18-15(19)10-6-5-9-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyWFEVCSNGPHFJFI-UHFFFAOYSA-N
XLogP1.78
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid with MolForge

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Related Compounds

methyl 2-(3-phenylprop-2-enoylamino)hexanoate
CID 78410683
methyl 5-[[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-5-oxo-2-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanoate
CID 90424228
methyl (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate
CID 6449731
5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 81077327
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-phenylprop-2-enoylamino)pentanoate
CID 175537152
(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanediamide
CID 166919857
(2E,4E)-N'-methoxy-N'-methyl-5-phenylpenta-2,4-dienehydrazide
CID 125484977
(2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]pentanedioic acid
CID 115343564
(4S)-5-(dipentylamino)-5-oxo-4-(3-phenylprop-2-enoylamino)pentanoic acid
CID 67898518
4-methoxy-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71325831
dimethyl 2-[(2E,4E)-5-phenylpenta-2,4-dienoyl]oxybutanedioate
CID 170020960
5-oxo-2-[[(E)-3-phenylprop-2-enoyl]amino]octanoic acid
CID 167539160

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid (CID 123498483) is 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid is COC(=O)C(CCC(=O)O)NC(=O)C=CC=Cc1ccccc1.
What is the InChIKey of 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid?
The InChIKey is WFEVCSNGPHFJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-23-17(22)14(11-12-16(20)21)18-15(19)10-6-5-9-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid?
5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-4-(5-phenylpenta-2,4-dienoylamino)pentanoic acid is sourced from PubChem (CID 123498483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).