2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid

C11H14N2O6S — CID 82921997

IUPAC2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid
SMILESCC(COc1ccc(S(N)(=O)=O)cc1C(=O)O)C(N)=O
InChIInChI=1S/C11H14N2O6S/c1-6(10(12)14)5-19-9-3-2-7(20(13,17)18)4-8(9)11(15)16/h2-4,6H,5H2,1H3,(H2,12,14)(H,15,16)(H2,13,17,18)
InChIKeyQZRHEPKSORECJH-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.47
Rot. Bonds6

About 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid

2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid (PubChem CID 82921997) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid
PubChem CID82921997
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid
SMILESCC(COc1ccc(S(N)(=O)=O)cc1C(=O)O)C(N)=O
InChIInChI=1S/C11H14N2O6S/c1-6(10(12)14)5-19-9-3-2-7(20(13,17)18)4-8(9)11(15)16/h2-4,6H,5H2,1H3,(H2,12,14)(H,15,16)(H2,13,17,18)
InChIKeyQZRHEPKSORECJH-UHFFFAOYSA-N
XLogP-0.47
TPSA149.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic 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-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
2-(3-carboxypropoxy)-5-sulfamoylbenzoic acid
CID 43342335
2-but-3-enoxy-5-sulfamoylbenzoic acid
CID 43322681
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
CID 82917070
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2-pent-4-enoxy-5-sulfamoylbenzoic acid
CID 79114371
2-[3-(ethylamino)-3-oxopropoxy]-5-sulfamoylbenzoic acid
CID 82913282
2-[(1-methyltriazol-4-yl)methoxy]-5-sulfamoylbenzoic acid
CID 107044349
5-(3-amino-2-methyl-3-oxopropyl)sulfonyl-2-bromobenzoic acid
CID 43312331
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorosulfonylbenzoic acid
CID 82910320
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-5-sulfamoylbenzoic acid
CID 82913263
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid?
The IUPAC name of 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid (CID 82921997) is 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid is CC(COc1ccc(S(N)(=O)=O)cc1C(=O)O)C(N)=O.
What is the InChIKey of 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid?
The InChIKey is QZRHEPKSORECJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-6(10(12)14)5-19-9-3-2-7(20(13,17)18)4-8(9)11(15)16/h2-4,6H,5H2,1H3,(H2,12,14)(H,15,16)(H2,13,17,18).
What are the key properties of 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid?
2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid has a molecular weight of 302.31 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 82921997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).