2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid

C7H6FN3O3S — CID 164597518

IUPAC2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc(SF)nc1
InChIInChI=1S/C7H6FN3O3S/c8-15-7-10-1-4(2-11-7)6(14)9-3-5(12)13/h1-2H,3H2,(H,9,14)(H,12,13)
InChIKeyAVVDASOFLUCQKV-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.27
Rot. Bonds4

About 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid

2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 164597518) has the molecular formula C7H6FN3O3S and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID164597518
Molecular FormulaC7H6FN3O3S
Molecular Weight231.21 g/mol
Exact Mass231.01
IUPAC Name2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc(SF)nc1
InChIInChI=1S/C7H6FN3O3S/c8-15-7-10-1-4(2-11-7)6(14)9-3-5(12)13/h1-2H,3H2,(H,9,14)(H,12,13)
InChIKeyAVVDASOFLUCQKV-UHFFFAOYSA-N
XLogP0.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
2-[(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 770223
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772
2-benzamidoacetic acid;hydrofluoride
CID 174760685
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
CID 102131268
2-[[4-(5-chloro-2-pyridinyl)benzoyl]amino]acetic acid
CID 169198581
2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359
2-[2-[2-[(2-methylsulfanylpyrimidine-5-carbonyl)amino]ethoxy]ethoxy]acetic acid
CID 170283260
2-[(5-methyl-1,3-thiazole-2-carbonyl)amino]acetic acid
CID 70669434

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid (CID 164597518) is 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1cnc(SF)nc1.
What is the InChIKey of 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is AVVDASOFLUCQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O3S/c8-15-7-10-1-4(2-11-7)6(14)9-3-5(12)13/h1-2H,3H2,(H,9,14)(H,12,13).
What are the key properties of 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid?
2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 231.21 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorosulfanylpyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 164597518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).