2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid

C12H16N2O6S — CID 107339625

IUPAC2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H16N2O6S/c1-20-12(17)3-2-6-21(18,19)14-10-5-4-9(13-8-10)7-11(15)16/h4-5,8,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyWTGACMPQLVTSRT-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.40
Rot. Bonds8

About 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid

2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid (PubChem CID 107339625) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
PubChem CID107339625
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H16N2O6S/c1-20-12(17)3-2-6-21(18,19)14-10-5-4-9(13-8-10)7-11(15)16/h4-5,8,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyWTGACMPQLVTSRT-UHFFFAOYSA-N
XLogP0.40
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-(5-Benzenesulphonamidopyrid-2-yl)butanoic acid
CID 14989649
Methyl 2-(5-aminopyridin-2-yl)acetate
CID 53659969
3-(Tert-butylsulfinylamino)-3-(5-fluoro-2-pyridinyl)propanoic acid
CID 68881105
Ethyl 3-amino-5-fluoropyridine-2-acetate
CID 118908677
Ethyl 2,2-difluoro-2-[5-(trifluoromethylamino)pyridin-2-yl]acetate
CID 135137282
Ethyl 2-(5-amino-2-pyridinyl)-2-fluoroacetate
CID 151909138
2-[5-(2,2,2-Trifluoroethylamino)-2-pyridinyl]acetic acid
CID 174685699
2-[3-(2,2-Difluoroethylamino)-2-pyridinyl]acetic acid
CID 174770164
Methyl 4-[[6-(trifluoromethyl)-3-pyridinyl]sulfamoyl]butanoate
CID 82793549

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid (CID 107339625) is 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid is COC(=O)CCCS(=O)(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid?
The InChIKey is WTGACMPQLVTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-20-12(17)3-2-6-21(18,19)14-10-5-4-9(13-8-10)7-11(15)16/h4-5,8,14H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid?
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid has a molecular weight of 316.34 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).