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

C12H14N2O6S — CID 66165853

IUPAC2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NCC(O)C(=O)O)cc21
InChIInChI=1S/C12H14N2O6S/c1-6-8-4-7(2-3-9(8)14-11(6)16)21(19,20)13-5-10(15)12(17)18/h2-4,6,10,13,15H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyUTIDPQZUNRVCIL-UHFFFAOYSA-N
MW314.32 g/mol
LogP-0.53
Rot. Bonds5

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

2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid (PubChem CID 66165853) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
PubChem CID66165853
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
SMILESCC1C(=O)Nc2ccc(S(=O)(=O)NCC(O)C(=O)O)cc21
InChIInChI=1S/C12H14N2O6S/c1-6-8-4-7(2-3-9(8)14-11(6)16)21(19,20)13-5-10(15)12(17)18/h2-4,6,10,13,15H,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyUTIDPQZUNRVCIL-UHFFFAOYSA-N
XLogP-0.53
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]acetamide
CID 9189795
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9125333
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 9190126
3-(1H-imidazol-5-yl)-2-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 138041210
2-[methyl-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonyl]amino]propanoic acid
CID 62626247
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9031927
(3S)-N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188688
methyl (2R,3S)-3-methyl-2-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]pentanoate
CID 9188460
(3R)-3-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187706
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 65189183
(3R)-N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9186876

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid (CID 66165853) is 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid is CC1C(=O)Nc2ccc(S(=O)(=O)NCC(O)C(=O)O)cc21.
What is the InChIKey of 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
The InChIKey is UTIDPQZUNRVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-6-8-4-7(2-3-9(8)14-11(6)16)21(19,20)13-5-10(15)12(17)18/h2-4,6,10,13,15H,5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid?
2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid has a molecular weight of 314.32 g/mol, XLogP of -0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methyl-2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 66165853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).