4-(4-fluorophenyl)-3-(iodoamino)butanoic acid

C10H11FINO2 — CID 154929108

IUPAC4-(4-fluorophenyl)-3-(iodoamino)butanoic acid
SMILESO=C(O)CC(Cc1ccc(F)cc1)NI
InChIInChI=1S/C10H11FINO2/c11-8-3-1-7(2-4-8)5-9(13-12)6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyJMQBQOMFXRQTKF-UHFFFAOYSA-N
MW323.11 g/mol
LogP2.15
Rot. Bonds5

About 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid

4-(4-fluorophenyl)-3-(iodoamino)butanoic acid (PubChem CID 154929108) has the molecular formula C10H11FINO2 and a molecular weight of 323.11 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(iodoamino)butanoic acid
PubChem CID154929108
Molecular FormulaC10H11FINO2
Molecular Weight323.11 g/mol
Exact Mass322.98
IUPAC Name4-(4-fluorophenyl)-3-(iodoamino)butanoic acid
SMILESO=C(O)CC(Cc1ccc(F)cc1)NI
InChIInChI=1S/C10H11FINO2/c11-8-3-1-7(2-4-8)5-9(13-12)6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyJMQBQOMFXRQTKF-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(benzylamino)-4-(4-fluorophenyl)butanoic acid
CID 69228674
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
2-[1-(4-fluorophenyl)propan-2-yl]butanedioic acid
CID 91127793
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
4-[(4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 115219892
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
3-(iodoamino)-4-naphthalen-1-ylbutanoic acid
CID 166792226
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
4-[[2-(aminomethyl)-3-(4-fluorophenyl)propanoyl]amino]-5-phenylpentanoic acid
CID 154870589
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid (CID 154929108) is 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid is O=C(O)CC(Cc1ccc(F)cc1)NI.
What is the InChIKey of 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid?
The InChIKey is JMQBQOMFXRQTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FINO2/c11-8-3-1-7(2-4-8)5-9(13-12)6-10(14)15/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid?
4-(4-fluorophenyl)-3-(iodoamino)butanoic acid has a molecular weight of 323.11 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(iodoamino)butanoic acid is sourced from PubChem (CID 154929108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).