4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid

C14H16FNO3 — CID 119170642

IUPAC4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c15-12-8-6-11(7-9-12)3-1-4-13(17)16-10-2-5-14(18)19/h1,3,6-9H,2,4-5,10H2,(H,16,17)(H,18,19)/b3-1+
InChIKeyHFLZQMXOIZCBQA-HNQUOIGGSA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds7

About 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid

4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid (PubChem CID 119170642) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid
PubChem CID119170642
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C/C=C/c1ccc(F)cc1
InChIInChI=1S/C14H16FNO3/c15-12-8-6-11(7-9-12)3-1-4-13(17)16-10-2-5-14(18)19/h1,3,6-9H,2,4-5,10H2,(H,16,17)(H,18,19)/b3-1+
InChIKeyHFLZQMXOIZCBQA-HNQUOIGGSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)but-3-enamide
CID 111719918
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
6-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]hexanoic acid
CID 108907989
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
4-(4-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]but-3-enamide
CID 111594693
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid
CID 10380391
3-[[(E)-4-(4-fluorophenyl)but-3-enoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190127
(E)-N-(3-ethenoxypropyl)-4-phenylbut-3-enamide
CID 20697234
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
2-cyclopropyl-2-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]acetic acid
CID 119213312

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid?
The IUPAC name of 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid (CID 119170642) is 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid?
The canonical SMILES for 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid is O=C(O)CCCNC(=O)C/C=C/c1ccc(F)cc1.
What is the InChIKey of 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid?
The InChIKey is HFLZQMXOIZCBQA-HNQUOIGGSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-8-6-11(7-9-12)3-1-4-13(17)16-10-2-5-14(18)19/h1,3,6-9H,2,4-5,10H2,(H,16,17)(H,18,19)/b3-1+.
What are the key properties of 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid?
4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid has a molecular weight of 265.28 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid is sourced from PubChem (CID 119170642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).