2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid

C14H16F2N2O4 — CID 166310484

IUPAC2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid
SMILESO=C(NC(CC1CCOCC1)C(=O)O)c1ncc(F)cc1F
InChIInChI=1S/C14H16F2N2O4/c15-9-6-10(16)12(17-7-9)13(19)18-11(14(20)21)5-8-1-3-22-4-2-8/h6-8,11H,1-5H2,(H,18,19)(H,20,21)
InChIKeyKEXJYHYKWYSUDA-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.36
Rot. Bonds5

About 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid

2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid (PubChem CID 166310484) has the molecular formula C14H16F2N2O4 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid
PubChem CID166310484
Molecular FormulaC14H16F2N2O4
Molecular Weight314.29 g/mol
Exact Mass314.11
IUPAC Name2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid
SMILESO=C(NC(CC1CCOCC1)C(=O)O)c1ncc(F)cc1F
InChIInChI=1S/C14H16F2N2O4/c15-9-6-10(16)12(17-7-9)13(19)18-11(14(20)21)5-8-1-3-22-4-2-8/h6-8,11H,1-5H2,(H,18,19)(H,20,21)
InChIKeyKEXJYHYKWYSUDA-UHFFFAOYSA-N
XLogP1.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 112734988
3,5-difluoro-N-methylpyridine-2-carboxamide
CID 58243777
(2S)-N-(5-fluoro-1,3-thiazol-2-yl)-2-methyl-3-(oxan-4-yl)propanamide
CID 143895910
(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
CID 162739047
5-fluoro-N-[(2S)-3-(oxan-4-yl)-1-oxo-1-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]anilino]propan-2-yl]pyridine-2-carboxamide
CID 176733580
N-(1,1-dioxothian-4-yl)-3,5-difluoropyridine-2-carboxamide
CID 91764713
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanol
CID 79721741
3-cyclohexyl-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 114264473
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553
3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 120535703
N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,5-difluoropyridine-2-carboxamide
CID 156609395
(2S)-2-[(3-aminobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 112734855

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid?
The IUPAC name of 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid (CID 166310484) is 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid.
What is the SMILES notation for 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid?
The canonical SMILES for 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid is O=C(NC(CC1CCOCC1)C(=O)O)c1ncc(F)cc1F.
What is the InChIKey of 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid?
The InChIKey is KEXJYHYKWYSUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4/c15-9-6-10(16)12(17-7-9)13(19)18-11(14(20)21)5-8-1-3-22-4-2-8/h6-8,11H,1-5H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid?
2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid has a molecular weight of 314.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoropyridine-2-carbonyl)amino]-3-(oxan-4-yl)propanoic acid is sourced from PubChem (CID 166310484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).