2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid

C13H20N2O5S — CID 166242068

IUPAC2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)9-15(8-12(16)17)21(18,19)10-5-6-11(20-4)14-7-10/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyYCAYABOZLAUNCR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.21
Rot. Bonds6

About 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid

2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid (PubChem CID 166242068) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
PubChem CID166242068
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)9-15(8-12(16)17)21(18,19)10-5-6-11(20-4)14-7-10/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyYCAYABOZLAUNCR-UHFFFAOYSA-N
XLogP1.21
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methoxy-3-pyridinyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 122072863
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]oxy]acetic acid
CID 103341256
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl-(2,2-dimethylpropyl)amino]acetic acid
CID 167757920
2-methoxy-5-methylsulfonylpyridine
CID 13433434
[5-bromo-1-[(6-methoxy-3-pyridinyl)sulfonyl]pyrrol-3-yl]methyl-(2,2-dimethylpropyl)carbamic acid
CID 66974528
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
(2S)-2-[(6-methoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069805
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
6-methoxy-N-methyl-N-piperidin-4-ylpyridine-3-sulfonamide
CID 120999712
3-[(6-methoxy-3-pyridinyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 146102616

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid (CID 166242068) is 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)(C)C)cn1.
What is the InChIKey of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The InChIKey is YCAYABOZLAUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-13(2,3)9-15(8-12(16)17)21(18,19)10-5-6-11(20-4)14-7-10/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 166242068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).