2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid

C11H13FN2O3 — CID 104638217

IUPAC2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2O3/c1-3-9(11(16)17)14(2)10(15)8-5-4-7(12)6-13-8/h4-6,9H,3H2,1-2H3,(H,16,17)
InChIKeyVKWWYCJEIHZUFF-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.16
Rot. Bonds4

About 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid

2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid (PubChem CID 104638217) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid
PubChem CID104638217
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(=O)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2O3/c1-3-9(11(16)17)14(2)10(15)8-5-4-7(12)6-13-8/h4-6,9H,3H2,1-2H3,(H,16,17)
InChIKeyVKWWYCJEIHZUFF-UHFFFAOYSA-N
XLogP1.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104643248
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495
2-[methyl-(2,4,6-trifluorobenzoyl)amino]butanoic acid
CID 65101524
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639471
N-cyano-5-fluoro-N-methylpyridine-2-carboxamide
CID 130605397
2-[methyl-(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 79749348
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 65200054
2-[tert-butyl-(5-fluoropyridine-2-carbonyl)amino]acetic acid
CID 113435829
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid (CID 104638217) is 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(=O)c1ccc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid?
The InChIKey is VKWWYCJEIHZUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-3-9(11(16)17)14(2)10(15)8-5-4-7(12)6-13-8/h4-6,9H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid?
2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyridine-2-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 104638217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).