3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid

C11H13FN2O3 — CID 104785540

IUPAC3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-7(11(16)17)6-14(2)10(15)8-3-9(12)5-13-4-8/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyJDQUNFFHZYFFPU-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.01
Rot. Bonds4

About 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 104785540) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID104785540
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)c1cncc(F)c1)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-7(11(16)17)6-14(2)10(15)8-3-9(12)5-13-4-8/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyJDQUNFFHZYFFPU-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524389
2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678
5-hydroxy-N-[(2R)-2-hydroxypropyl]-N-methylpyridine-3-carboxamide
CID 167850128
2-methyl-3-[methyl-(2,3,5,6-tetrafluorobenzoyl)amino]propanoic acid
CID 119228036
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
3-[(4-carbamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008504
5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
CID 116613600
N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide
CID 80665693
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid (CID 104785540) is 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)c1cncc(F)c1)C(=O)O.
What is the InChIKey of 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is JDQUNFFHZYFFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-7(11(16)17)6-14(2)10(15)8-3-9(12)5-13-4-8/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 240.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 104785540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).