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

C15H16N4O5S — CID 138041210

IUPAC3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NC(Cc3cnc[nH]3)C(=O)O)cc21
InChIInChI=1S/C15H16N4O5S/c1-8-11-5-10(2-3-12(11)18-14(8)20)25(23,24)19-13(15(21)22)4-9-6-16-7-17-9/h2-3,5-8,13,19H,4H2,1H3,(H,16,17)(H,18,20)(H,21,22)
InChIKeyLUPOJRIQWDAXGH-UHFFFAOYSA-N
MW364.38 g/mol
LogP0.44
Rot. Bonds6

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

3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid (PubChem CID 138041210) has the molecular formula C15H16N4O5S and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
PubChem CID138041210
Molecular FormulaC15H16N4O5S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NC(Cc3cnc[nH]3)C(=O)O)cc21
InChIInChI=1S/C15H16N4O5S/c1-8-11-5-10(2-3-12(11)18-14(8)20)25(23,24)19-13(15(21)22)4-9-6-16-7-17-9/h2-3,5-8,13,19H,4H2,1H3,(H,16,17)(H,18,20)(H,21,22)
InChIKeyLUPOJRIQWDAXGH-UHFFFAOYSA-N
XLogP0.44
TPSA141.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid (CID 138041210) is 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid is CC1C(=O)Nc2ccc(S(=O)(=O)NC(Cc3cnc[nH]3)C(=O)O)cc21.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is LUPOJRIQWDAXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5S/c1-8-11-5-10(2-3-12(11)18-14(8)20)25(23,24)19-13(15(21)22)4-9-6-16-7-17-9/h2-3,5-8,13,19H,4H2,1H3,(H,16,17)(H,18,20)(H,21,22).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 364.38 g/mol, XLogP of 0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 138041210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).