3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C10H11FN2O4 — CID 104638318

IUPAC3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C10H11FN2O4/c1-10(17,9(15)16)5-13-8(14)7-3-2-6(11)4-12-7/h2-4,17H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyXUUROUDBDJCQFU-UHFFFAOYSA-N
MW242.21 g/mol
LogP-0.21
Rot. Bonds4

About 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104638318) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104638318
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(F)cn1)C(=O)O
InChIInChI=1S/C10H11FN2O4/c1-10(17,9(15)16)5-13-8(14)7-3-2-6(11)4-12-7/h2-4,17H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyXUUROUDBDJCQFU-UHFFFAOYSA-N
XLogP-0.21
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(5-fluoropyridine-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526510
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
4-[[(5-fluoropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 104638128
3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172560
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003
2-hydroxy-2-methyl-3-(thiadiazole-4-carbonylamino)propanoic acid
CID 66174400

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 104638318) is 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1ccc(F)cn1)C(=O)O.
What is the InChIKey of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is XUUROUDBDJCQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-10(17,9(15)16)5-13-8(14)7-3-2-6(11)4-12-7/h2-4,17H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 242.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyridine-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104638318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).