2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid

C10H11FN2O3 — CID 103804135

IUPAC2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16)13(2)9(14)7-3-4-8(11)12-5-7/h3-6H,1-2H3,(H,15,16)
InChIKeyFFYVJDPXEROILF-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.77
Rot. Bonds3

About 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid

2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid (PubChem CID 103804135) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
PubChem CID103804135
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16)13(2)9(14)7-3-4-8(11)12-5-7/h3-6H,1-2H3,(H,15,16)
InChIKeyFFYVJDPXEROILF-UHFFFAOYSA-N
XLogP0.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 63972005
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
2-[(4-acetylbenzoyl)-methylamino]propanoic acid
CID 119208794
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
N-ethyl-6-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 63973149
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
N-[2-(dimethylamino)-2-oxoethyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 63971406
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
2-[[4-(difluoromethylsulfonyl)benzoyl]-methylamino]propanoic acid
CID 119359231
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid (CID 103804135) is 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)c1ccc(F)nc1.
What is the InChIKey of 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid?
The InChIKey is FFYVJDPXEROILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6(10(15)16)13(2)9(14)7-3-4-8(11)12-5-7/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid?
2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid has a molecular weight of 226.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoropyridine-3-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 103804135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).