[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate

C24H27N3O5S — CID 91265178

IUPAC[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1c2ccccc2-c2ccc(NC(=O)CCN3C(=O)C(SC)CC3O)cc21
InChIInChI=1S/C24H27N3O5S/c1-25-24(31)32-13-19-16-6-4-3-5-15(16)17-8-7-14(11-18(17)19)26-21(28)9-10-27-22(29)12-20(33-2)23(27)30/h3-8,11,19-20,22,29H,9-10,12-13H2,1-2H3,(H,25,31)(H,26,28)
InChIKeyWGHHCZLLHUDINV-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.77
Rot. Bonds7

About [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate

[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate (PubChem CID 91265178) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
PubChem CID91265178
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1c2ccccc2-c2ccc(NC(=O)CCN3C(=O)C(SC)CC3O)cc21
InChIInChI=1S/C24H27N3O5S/c1-25-24(31)32-13-19-16-6-4-3-5-15(16)17-8-7-14(11-18(17)19)26-21(28)9-10-27-22(29)12-20(33-2)23(27)30/h3-8,11,19-20,22,29H,9-10,12-13H2,1-2H3,(H,25,31)(H,26,28)
InChIKeyWGHHCZLLHUDINV-UHFFFAOYSA-N
XLogP2.77
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate
CID 90731632
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl formate
CID 159938128
[2-[3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-[6-(ethylamino)-9-hydroxy-7-oxononyl]carbamate
CID 118375032
[2-[3-(2,5-dihydroxy-3-propan-2-ylsulfanylpyrrol-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl carbamate
CID 90743793
(2,5-dioxopyrrolidin-1-yl) [2-[3-[3-[4-[1-[3-[[9-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl]-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1,2,3,4-tetrahydroxybutyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]-9H-fluoren-9-yl]methyl carbonate
CID 50898555
[2-[3-[2,5-dioxo-3-(16-oxohexadecylsulfanyl)pyrrolidin-1-yl]propanoylamino]-9H-fluoren-9-yl]methyl formate
CID 162214736
11-[10-[1-[3-[[9-(acetyloxymethyl)-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyldecyldisulfanyl]undecanoic acid;sulfur trioxide
CID 160610245
[2-[3-(2,5-dioxocyclopent-3-en-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 118632709
bis([2-(3-acetylsulfanylpropanoylamino)-9H-fluoren-9-yl]methyl acetate);[2-[3-(2,4-dioxocyclopentyl)sulfanylpropanoylamino]-9H-fluoren-9-yl]methyl acetate;hydroxylamine;[2-(3-sulfanylpropanoylamino)-9H-fluoren-9-yl]methyl acetate
CID 159828220
[2-[[17-oxo-17-(6-oxohexylamino)heptadecanoyl]amino]-9H-fluoren-9-yl]methyl acetate;sulfur trioxide
CID 158176978
5-[1-[3-[[9-(acetyloxymethyl)-7-(trioxidanylsulfanyl)-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpentan-2-ylideneazanium
CID 59324403
5-[1-[3-[[9-(acetyloxymethyl)-5-sulfo-9H-fluoren-2-yl]amino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpentan-2-ylideneazanium
CID 59324396

Frequently Asked Questions

What is the IUPAC name of [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
The IUPAC name of [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate (CID 91265178) is [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate.
What is the SMILES notation for [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
The canonical SMILES for [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate is CNC(=O)OCC1c2ccccc2-c2ccc(NC(=O)CCN3C(=O)C(SC)CC3O)cc21.
What is the InChIKey of [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
The InChIKey is WGHHCZLLHUDINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-25-24(31)32-13-19-16-6-4-3-5-15(16)17-8-7-14(11-18(17)19)26-21(28)9-10-27-22(29)12-20(33-2)23(27)30/h3-8,11,19-20,22,29H,9-10,12-13H2,1-2H3,(H,25,31)(H,26,28).
What are the key properties of [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate?
[2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate has a molecular weight of 469.56 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(5-hydroxy-3-methylsulfanyl-2-oxopyrrolidin-1-yl)propanoylamino]-9H-fluoren-9-yl]methyl N-methylcarbamate is sourced from PubChem (CID 91265178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).