3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid

C12H14N2O6S — CID 81086190

IUPAC3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
SMILESCOCC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C12H14N2O6S/c1-20-6-10(12(16)17)14-21(18,19)8-2-3-9-7(4-8)5-11(15)13-9/h2-4,10,14H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyXSTUCLFXLPVZOI-UHFFFAOYSA-N
MW314.32 g/mol
LogP-0.44
Rot. Bonds6

About 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid

3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid (PubChem CID 81086190) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
PubChem CID81086190
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
SMILESCOCC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C12H14N2O6S/c1-20-6-10(12(16)17)14-21(18,19)8-2-3-9-7(4-8)5-11(15)13-9/h2-4,10,14H,5-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyXSTUCLFXLPVZOI-UHFFFAOYSA-N
XLogP-0.44
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid with MolForge

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 39419252
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
2-[(4-bromo-3-methylphenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81078037
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]oxyacetamide
CID 112673502
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
3-methoxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 81086028
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9056007
(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
CID 9056044

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid (CID 81086190) is 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid is COCC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is XSTUCLFXLPVZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-20-6-10(12(16)17)14-21(18,19)8-2-3-9-7(4-8)5-11(15)13-9/h2-4,10,14H,5-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 314.32 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 81086190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).