2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid

C11H15N3O4S — CID 107339762

IUPAC2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C11H15N3O4S/c15-11(16)7-9-3-4-10(8-12-9)13-19(17,18)14-5-1-2-6-14/h3-4,8,13H,1-2,5-7H2,(H,15,16)
InChIKeyCWGPFUAKGRRNBY-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.46
Rot. Bonds5

About 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid

2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid (PubChem CID 107339762) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
PubChem CID107339762
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C11H15N3O4S/c15-11(16)7-9-3-4-10(8-12-9)13-19(17,18)14-5-1-2-6-14/h3-4,8,13H,1-2,5-7H2,(H,15,16)
InChIKeyCWGPFUAKGRRNBY-UHFFFAOYSA-N
XLogP0.46
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339881
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
CID 107340448
3-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]propanoic acid
CID 115339542
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792
2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339698
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339860
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518

Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid (CID 107339762) is 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid?
The InChIKey is CWGPFUAKGRRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-11(16)7-9-3-4-10(8-12-9)13-19(17,18)14-5-1-2-6-14/h3-4,8,13H,1-2,5-7H2,(H,15,16).
What are the key properties of 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid?
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid has a molecular weight of 285.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).