3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid

C9H17NO6S — CID 115427426

IUPAC3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-6(7(11)16-4)17(14,15)10-5-9(2,3)8(12)13/h6,10H,5H2,1-4H3,(H,12,13)
InChIKeyDIFMCDWKYSKJED-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid

3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid (PubChem CID 115427426) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
PubChem CID115427426
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCOC(=O)C(C)S(=O)(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-6(7(11)16-4)17(14,15)10-5-9(2,3)8(12)13/h6,10H,5H2,1-4H3,(H,12,13)
InChIKeyDIFMCDWKYSKJED-UHFFFAOYSA-N
XLogP-0.42
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic 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

methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoate
CID 114163451
methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
CID 63194222
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
methyl 2-(2-sulfamoylethylsulfamoyl)propanoate
CID 61459354
methyl 2-[2-(propan-2-ylamino)ethylsulfamoyl]propanoate
CID 62664428
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
methyl 2-(methylsulfamoyl)propanoate
CID 61458435
3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
CID 81065444
methyl 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)sulfamoyl]propanoate
CID 62666912
methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
CID 54951523

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid (CID 115427426) is 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid is COC(=O)C(C)S(=O)(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid?
The InChIKey is DIFMCDWKYSKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-6(7(11)16-4)17(14,15)10-5-9(2,3)8(12)13/h6,10H,5H2,1-4H3,(H,12,13).
What are the key properties of 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid?
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).