2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid

C16H15FN2O4 — CID 71093055

IUPAC2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ncc(-c2cccc(F)c2)cc1O)C(=O)O
InChIInChI=1S/C16H15FN2O4/c1-2-12(16(22)23)19-15(21)14-13(20)7-10(8-18-14)9-4-3-5-11(17)6-9/h3-8,12,20H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyHRRFQNWRJGUDPN-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.19
Rot. Bonds5

About 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid

2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid (PubChem CID 71093055) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
PubChem CID71093055
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ncc(-c2cccc(F)c2)cc1O)C(=O)O
InChIInChI=1S/C16H15FN2O4/c1-2-12(16(22)23)19-15(21)14-13(20)7-10(8-18-14)9-4-3-5-11(17)6-9/h3-8,12,20H,2H2,1H3,(H,19,21)(H,22,23)
InChIKeyHRRFQNWRJGUDPN-UHFFFAOYSA-N
XLogP2.19
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
CID 145160317
CID 145160317
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172856144
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 140848116
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
2-[bis(2-hydroxyethyl)amino]ethanol;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172862946
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
CID 71086645

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid (CID 71093055) is 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid is CCC(NC(=O)c1ncc(-c2cccc(F)c2)cc1O)C(=O)O.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid?
The InChIKey is HRRFQNWRJGUDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-2-12(16(22)23)19-15(21)14-13(20)7-10(8-18-14)9-4-3-5-11(17)6-9/h3-8,12,20H,2H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid?
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid has a molecular weight of 318.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 71093055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).