3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid

C11H16N2O5S — CID 122072863

IUPAC3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(S(=O)(=O)N(C)CC(C)C(=O)O)cn1
InChIInChI=1S/C11H16N2O5S/c1-8(11(14)15)7-13(2)19(16,17)9-4-5-10(18-3)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyRAKCTWWYGUPYRX-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.43
Rot. Bonds6

About 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid

3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid (PubChem CID 122072863) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
PubChem CID122072863
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc(S(=O)(=O)N(C)CC(C)C(=O)O)cn1
InChIInChI=1S/C11H16N2O5S/c1-8(11(14)15)7-13(2)19(16,17)9-4-5-10(18-3)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyRAKCTWWYGUPYRX-UHFFFAOYSA-N
XLogP0.43
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-[(6-methylsulfonyl-3-pyridinyl)sulfonyl]amino]propanoic acid
CID 120660361
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
CID 166242068
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
CID 103341256
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-sulfonamide
CID 62337809
2-methoxy-5-methylsulfonylpyridine
CID 13433434
3-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008419
2-amino-N-(2-hydroxypropyl)-N-methylpyrimidine-5-sulfonamide
CID 62336474
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid (CID 122072863) is 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid is COc1ccc(S(=O)(=O)N(C)CC(C)C(=O)O)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The InChIKey is RAKCTWWYGUPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8(11(14)15)7-13(2)19(16,17)9-4-5-10(18-3)12-6-9/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid?
3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122072863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).