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

C11H13FN2O3 — CID 104638404

IUPAC3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)c1ccc(F)cn1)C(C)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-6(11(16)17)7(2)14-10(15)9-4-3-8(12)5-13-9/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKLZMNMSPUYYKGV-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.06
Rot. Bonds4

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

3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 104638404) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
PubChem CID104638404
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
SMILESCC(NC(=O)c1ccc(F)cn1)C(C)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-6(11(16)17)7(2)14-10(15)9-4-3-8(12)5-13-9/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKLZMNMSPUYYKGV-UHFFFAOYSA-N
XLogP1.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368
(2R)-2-(2-chlorophenyl)-2-[(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 107314623
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867
1-(5-fluoro-2-pyridinyl)-2,4,4-trimethylpentane-1,3-dione
CID 112583432
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
5-[2-(5-fluoro-2-pyridinyl)ethynyl]-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 123414415

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid (CID 104638404) is 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid is CC(NC(=O)c1ccc(F)cn1)C(C)C(=O)O.
What is the InChIKey of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is KLZMNMSPUYYKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6(11(16)17)7(2)14-10(15)9-4-3-8(12)5-13-9/h3-7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid?
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 104638404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).