2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid

C10H9FN2O5 — CID 104785578

IUPAC2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1cncc(F)c1
InChIInChI=1S/C10H9FN2O5/c11-7-1-6(2-12-3-7)10(18)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyRDGHBRDOMKLYDZ-UHFFFAOYSA-N
MW256.19 g/mol
LogP-0.17
Rot. Bonds5

About 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid

2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid (PubChem CID 104785578) has the molecular formula C10H9FN2O5 and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
PubChem CID104785578
Molecular FormulaC10H9FN2O5
Molecular Weight256.19 g/mol
Exact Mass256.05
IUPAC Name2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1cncc(F)c1
InChIInChI=1S/C10H9FN2O5/c11-7-1-6(2-12-3-7)10(18)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyRDGHBRDOMKLYDZ-UHFFFAOYSA-N
XLogP-0.17
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 115755678
N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 115769637
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
2-[(2-amino-2-oxoethyl)-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107434520
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104785376
2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63850971
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 115869418
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid (CID 104785578) is 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1cncc(F)c1.
What is the InChIKey of 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
The InChIKey is RDGHBRDOMKLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O5/c11-7-1-6(2-12-3-7)10(18)13(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid?
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid has a molecular weight of 256.19 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 104785578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).