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-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-Pyridineacetic acid
CID 85318
3-(5-Aminopyridin-2-yl)propanoic acid
CID 14989642
Ethyl 2-(3-aminopyridin-2-yl)acetate
CID 15475339
Ethyl 2-(5-aminopyridin-2-yl)acetate
CID 21876034
2-(5-(((Tert-butoxy)carbonyl)amino)pyridin-2-yl)acetic acid
CID 53401498
2-(3-Fluoro-2-pyridyl)acetic Acid
CID 53429062
(5-Fluoropyridin-2-yl)acetic acid
CID 55267809
3-Amino-3-(pyridin-2-yl)propanoic acid dihydrochloride
CID 71757125
4,5,6,7-Tetrafluoro-2-pyridin-2-ylbenzimidazole-2-carboxylic acid
CID 91259284
2-Amino-2-(pyridin-2-YL)acetic acid
CID 4226387
2-Pyridin-2-ylalanine
CID 4241373

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).