5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid

C17H23NO4 — CID 10380391

IUPAC5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid
SMILESCOc1ccc(/C=C\CCCNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C17H23NO4/c1-22-15-11-9-14(10-12-15)6-3-2-4-13-18-16(19)7-5-8-17(20)21/h3,6,9-12H,2,4-5,7-8,13H2,1H3,(H,18,19)(H,20,21)/b6-3-
InChIKeyUIXOWAPDRDNDRN-UTCJRWHESA-N
MW305.37 g/mol
LogP2.86
Rot. Bonds10

About 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid

5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid (PubChem CID 10380391) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid
PubChem CID10380391
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid
SMILESCOc1ccc(/C=C\CCCNC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C17H23NO4/c1-22-15-11-9-14(10-12-15)6-3-2-4-13-18-16(19)7-5-8-17(20)21/h3,6,9-12H,2,4-5,7-8,13H2,1H3,(H,18,19)(H,20,21)/b6-3-
InChIKeyUIXOWAPDRDNDRN-UTCJRWHESA-N
XLogP2.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
CID 24705756
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
(E)-1-diazo-7-(4-methoxyphenyl)hept-6-en-2-one
CID 135767047
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
(E)-6-(3-fluoro-4-methoxyphenyl)hex-5-enoic acid
CID 95453750
4-[[4-[(E)-dec-1-enyl]benzoyl]amino]butanoic acid
CID 70541790
5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949711
4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid
CID 119170642
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993

Frequently Asked Questions

What is the IUPAC name of 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid (CID 10380391) is 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid is COc1ccc(/C=C\CCCNC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid?
The InChIKey is UIXOWAPDRDNDRN-UTCJRWHESA-N. The full InChI is InChI=1S/C17H23NO4/c1-22-15-11-9-14(10-12-15)6-3-2-4-13-18-16(19)7-5-8-17(20)21/h3,6,9-12H,2,4-5,7-8,13H2,1H3,(H,18,19)(H,20,21)/b6-3-.
What are the key properties of 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid?
5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 10380391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).