3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid

C11H12FNO3 — CID 174673648

IUPAC3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid
SMILES[H]/N=C(\C(=O)O)C(CC)c1cc(F)ccc1O
InChIInChI=1S/C11H12FNO3/c1-2-7(10(13)11(15)16)8-5-6(12)3-4-9(8)14/h3-5,7,13-14H,2H2,1H3,(H,15,16)/b13-10-
InChIKeyZAWCWNYCPBEFFR-RAXLEYEMSA-N
MW225.22 g/mol
LogP2.13
Rot. Bonds4

About 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid

3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid (PubChem CID 174673648) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid
PubChem CID174673648
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid
SMILES[H]/N=C(\C(=O)O)C(CC)c1cc(F)ccc1O
InChIInChI=1S/C11H12FNO3/c1-2-7(10(13)11(15)16)8-5-6(12)3-4-9(8)14/h3-5,7,13-14H,2H2,1H3,(H,15,16)/b13-10-
InChIKeyZAWCWNYCPBEFFR-RAXLEYEMSA-N
XLogP2.13
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-(5-Fluoro-2-hydroxyphenyl)-5-(3-fluorophenyl)-4-iminopentanoic acid
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5-(5-Fluoro-2-hydroxyphenyl)-4-imino-5-phenylpentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid?
The IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid (CID 174673648) is 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid?
The canonical SMILES for 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid is [H]/N=C(\C(=O)O)C(CC)c1cc(F)ccc1O.
What is the InChIKey of 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid?
The InChIKey is ZAWCWNYCPBEFFR-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-2-7(10(13)11(15)16)8-5-6(12)3-4-9(8)14/h3-5,7,13-14H,2H2,1H3,(H,15,16)/b13-10-.
What are the key properties of 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid?
3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid has a molecular weight of 225.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxyphenyl)-2-iminopentanoic acid is sourced from PubChem (CID 174673648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).