3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide

C11H21N3O3S — CID 129177433

IUPAC3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCN1C(=O)CC(SC)C1O
InChIInChI=1S/C11H21N3O3S/c1-12-4-5-13-9(15)3-6-14-10(16)7-8(18-2)11(14)17/h8,11-12,17H,3-7H2,1-2H3,(H,13,15)
InChIKeyXHEVJGMRSJGETK-UHFFFAOYSA-N
MW275.37 g/mol
LogP-1.01
Rot. Bonds7

About 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide

3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 129177433) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID129177433
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCN1C(=O)CC(SC)C1O
InChIInChI=1S/C11H21N3O3S/c1-12-4-5-13-9(15)3-6-14-10(16)7-8(18-2)11(14)17/h8,11-12,17H,3-7H2,1-2H3,(H,13,15)
InChIKeyXHEVJGMRSJGETK-UHFFFAOYSA-N
XLogP-1.01
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide (CID 129177433) is 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCN1C(=O)CC(SC)C1O.
What is the InChIKey of 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is XHEVJGMRSJGETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-12-4-5-13-9(15)3-6-14-10(16)7-8(18-2)11(14)17/h8,11-12,17H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide?
3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 275.37 g/mol, XLogP of -1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methylsulfanyl-5-oxopyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 129177433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).