(2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate

C11H16N2O5S — CID 89169747

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate
SMILESCCNC(=O)CSCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O5S/c1-2-12-8(14)7-19-6-5-11(17)18-13-9(15)3-4-10(13)16/h2-7H2,1H3,(H,12,14)
InChIKeyHXPRWQRSPUTGFL-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.15
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate (PubChem CID 89169747) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate
PubChem CID89169747
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate
SMILESCCNC(=O)CSCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H16N2O5S/c1-2-12-8(14)7-19-6-5-11(17)18-13-9(15)3-4-10(13)16/h2-7H2,1H3,(H,12,14)
InChIKeyHXPRWQRSPUTGFL-UHFFFAOYSA-N
XLogP-0.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-Acetyl-MAG3-NHS Ester
CID 10873111
(2,5-Dioxopyrrolidin-1-yl) 2-[2-(diethylamino)ethylsulfanyl]acetate
CID 11323693
(2,5-Dioxopyrrolidin-1-yl) 2-[2-(dimethylamino)ethylsulfanyl]acetate
CID 11379944
(2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[methyl(propanoyl)amino]ethyl-propanoylamino]ethylsulfanyl]propanoate
CID 58275042
3-(2,5-dioxo-1-propanoylpyrrolidin-3-yl)sulfanyl-N-ethylpropanamide
CID 58445915
4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide
CID 58493165
(2,5-Dioxopyrrolidin-1-yl) 2-(methylamino)-3-methylsulfanylpropanoate
CID 58609517
(2,5-Dioxopyrrolidin-1-yl) 6-(4-propylsulfanylbutanoylamino)hexanoate
CID 58756285
N-methyl-4-[3-[3-(methylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]butanamide
CID 59601771
N-ethyl-2-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylacetamide
CID 59824609
(2,5-Dioxopyrrolidin-1-yl) 3-[3-[(2-acetylsulfanylacetyl)amino]propoxy]propanoate
CID 59878097
CID 59921320
CID 59921320

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate (CID 89169747) is (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate is CCNC(=O)CSCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate?
The InChIKey is HXPRWQRSPUTGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-12-8(14)7-19-6-5-11(17)18-13-9(15)3-4-10(13)16/h2-7H2,1H3,(H,12,14).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate?
(2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate has a molecular weight of 288.32 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-(ethylamino)-2-oxoethyl]sulfanylpropanoate is sourced from PubChem (CID 89169747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).