1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid

C11H10FNO4 — CID 115298536

IUPAC1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C11H10FNO4/c12-7-1-2-9(14)8(3-7)10(15)13-4-6(5-13)11(16)17/h1-3,6,14H,4-5H2,(H,16,17)
InChIKeyDNVIWOATTBQTFU-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.69
Rot. Bonds2

About 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid

1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid (PubChem CID 115298536) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
PubChem CID115298536
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C11H10FNO4/c12-7-1-2-9(14)8(3-7)10(15)13-4-6(5-13)11(16)17/h1-3,6,14H,4-5H2,(H,16,17)
InChIKeyDNVIWOATTBQTFU-UHFFFAOYSA-N
XLogP0.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299657
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118403
1-(3,4-dihydroxybenzoyl)azetidine-3-carboxylic acid
CID 107728109
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105
(3-amino-3-methylazetidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299654
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid (CID 115298536) is 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid?
The InChIKey is DNVIWOATTBQTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-7-1-2-9(14)8(3-7)10(15)13-4-6(5-13)11(16)17/h1-3,6,14H,4-5H2,(H,16,17).
What are the key properties of 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid?
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid has a molecular weight of 239.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 115298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).