5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid

C17H16FNO3 — CID 57155364

IUPAC5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid
SMILES[H]/N=C(\CCC(=O)O)C(c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C17H16FNO3/c18-12-6-8-15(20)13(10-12)17(11-4-2-1-3-5-11)14(19)7-9-16(21)22/h1-6,8,10,17,19-20H,7,9H2,(H,21,22)/b19-14+
InChIKeyLWRUZWPEOQJSIC-XMHGGMMESA-N
MW301.32 g/mol
LogP3.55
Rot. Bonds6

About 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid

5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid (PubChem CID 57155364) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid
PubChem CID57155364
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid
SMILES[H]/N=C(\CCC(=O)O)C(c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C17H16FNO3/c18-12-6-8-15(20)13(10-12)17(11-4-2-1-3-5-11)14(19)7-9-16(21)22/h1-6,8,10,17,19-20H,7,9H2,(H,21,22)/b19-14+
InChIKeyLWRUZWPEOQJSIC-XMHGGMMESA-N
XLogP3.55
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid?
The IUPAC name of 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid (CID 57155364) is 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid?
The canonical SMILES for 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid is [H]/N=C(\CCC(=O)O)C(c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid?
The InChIKey is LWRUZWPEOQJSIC-XMHGGMMESA-N. The full InChI is InChI=1S/C17H16FNO3/c18-12-6-8-15(20)13(10-12)17(11-4-2-1-3-5-11)14(19)7-9-16(21)22/h1-6,8,10,17,19-20H,7,9H2,(H,21,22)/b19-14+.
What are the key properties of 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid?
5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid has a molecular weight of 301.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid is sourced from PubChem (CID 57155364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).