(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one

C17H20N2O6 — CID 15384307

IUPAC(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one
SMILESCN1C[C@@H](c2c[nH]c3ccccc23)[C@](O)([C@@]2(O)OC[C@H](O)[C@H]2O)C1=O
InChIInChI=1S/C17H20N2O6/c1-19-7-11(10-6-18-12-5-3-2-4-9(10)12)16(23,15(19)22)17(24)14(21)13(20)8-25-17/h2-6,11,13-14,18,20-21,23-24H,7-8H2,1H3/t11-,13-,14+,16+,17-/m0/s1
InChIKeyWEALNSIFBHESLE-CNUSHZMNSA-N
MW348.36 g/mol
LogP-1.10
Rot. Bonds2

About (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one

(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one (PubChem CID 15384307) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one
PubChem CID15384307
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one
SMILESCN1C[C@@H](c2c[nH]c3ccccc23)[C@](O)([C@@]2(O)OC[C@H](O)[C@H]2O)C1=O
InChIInChI=1S/C17H20N2O6/c1-19-7-11(10-6-18-12-5-3-2-4-9(10)12)16(23,15(19)22)17(24)14(21)13(20)8-25-17/h2-6,11,13-14,18,20-21,23-24H,7-8H2,1H3/t11-,13-,14+,16+,17-/m0/s1
InChIKeyWEALNSIFBHESLE-CNUSHZMNSA-N
XLogP-1.10
TPSA126.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one (CID 15384307) is (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one is CN1C[C@@H](c2c[nH]c3ccccc23)[C@](O)([C@@]2(O)OC[C@H](O)[C@H]2O)C1=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one?
The InChIKey is WEALNSIFBHESLE-CNUSHZMNSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-19-7-11(10-6-18-12-5-3-2-4-9(10)12)16(23,15(19)22)17(24)14(21)13(20)8-25-17/h2-6,11,13-14,18,20-21,23-24H,7-8H2,1H3/t11-,13-,14+,16+,17-/m0/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one?
(3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one has a molecular weight of 348.36 g/mol, XLogP of -1.10, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-(1H-indol-3-yl)-1-methyl-3-[(2S,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 15384307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).