2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid

C9H10FN3O5S — CID 107435853

IUPAC2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H10FN3O5S/c10-6-2-1-3-12-9(6)19(17,18)13(4-7(11)14)5-8(15)16/h1-3H,4-5H2,(H2,11,14)(H,15,16)
InChIKeyOWWUIQHWZLPXTJ-UHFFFAOYSA-N
MW291.26 g/mol
LogP-1.22
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid (PubChem CID 107435853) has the molecular formula C9H10FN3O5S and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
PubChem CID107435853
Molecular FormulaC9H10FN3O5S
Molecular Weight291.26 g/mol
Exact Mass291.03
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H10FN3O5S/c10-6-2-1-3-12-9(6)19(17,18)13(4-7(11)14)5-8(15)16/h1-3H,4-5H2,(H2,11,14)(H,15,16)
InChIKeyOWWUIQHWZLPXTJ-UHFFFAOYSA-N
XLogP-1.22
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
2-[(3-fluoro-2-pyridinyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 103308750
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
2-[(3-amino-2-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 166400276
2-[cyclopentyl-[(3-fluoro-2-pyridinyl)sulfonyl]amino]ethanethioamide
CID 103300682
2-[(3-fluoro-2-pyridinyl)sulfonylamino]oxyacetamide
CID 103298965
ethyl 3-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]propanoate
CID 103299959
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid (CID 107435853) is 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid is NC(=O)CN(CC(=O)O)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid?
The InChIKey is OWWUIQHWZLPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O5S/c10-6-2-1-3-12-9(6)19(17,18)13(4-7(11)14)5-8(15)16/h1-3H,4-5H2,(H2,11,14)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid has a molecular weight of 291.26 g/mol, XLogP of -1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 107435853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).