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

C10H11FN2O3 — CID 115496358

IUPAC3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccc(F)n1
InChIInChI=1S/C10H11FN2O3/c1-13(6-5-9(14)15)10(16)7-3-2-4-8(11)12-7/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyBFYCVMCRXFQOOT-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.77
Rot. Bonds4

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

3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid (PubChem CID 115496358) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
PubChem CID115496358
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccc(F)n1
InChIInChI=1S/C10H11FN2O3/c1-13(6-5-9(14)15)10(16)7-3-2-4-8(11)12-7/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyBFYCVMCRXFQOOT-UHFFFAOYSA-N
XLogP0.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497103
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
N-[3-(dimethylamino)-3-oxopropyl]-6-fluoropyridine-2-carboxamide
CID 115496952
ethyl 2-[(6-fluoropyridine-2-carbonyl)-methylamino]acetate
CID 115497697
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid (CID 115496358) is 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)c1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid?
The InChIKey is BFYCVMCRXFQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-13(6-5-9(14)15)10(16)7-3-2-4-8(11)12-7/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid?
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid has a molecular weight of 226.21 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 115496358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).