2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid

C10H12N2O6S — CID 61329211

IUPAC2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
SMILESCS(=O)(=O)c1ccc(NC(=O)COCC(=O)O)cn1
InChIInChI=1S/C10H12N2O6S/c1-19(16,17)9-3-2-7(4-11-9)12-8(13)5-18-6-10(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyIWHPFNDWMLMYPF-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.48
Rot. Bonds6

About 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329211) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329211
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
SMILESCS(=O)(=O)c1ccc(NC(=O)COCC(=O)O)cn1
InChIInChI=1S/C10H12N2O6S/c1-19(16,17)9-3-2-7(4-11-9)12-8(13)5-18-6-10(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyIWHPFNDWMLMYPF-UHFFFAOYSA-N
XLogP-0.48
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]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

2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
5-hydroxy-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 79199124
4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 81075258
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
CID 119854984
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
CID 61329012
2-methoxy-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47307987
3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47037109
2-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 79235104
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
4-[[2-(carboxymethoxy)acetyl]amino]benzoic acid
CID 61327264

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid (CID 61329211) is 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid is CS(=O)(=O)c1ccc(NC(=O)COCC(=O)O)cn1.
What is the InChIKey of 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is IWHPFNDWMLMYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-19(16,17)9-3-2-7(4-11-9)12-8(13)5-18-6-10(14)15/h2-4H,5-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 288.28 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).