(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid

C7H10N2O4S — CID 118343597

IUPAC(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
SMILESN[C@H](CSC1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C7H10N2O4S/c8-3(7(12)13)2-14-4-1-5(10)9-6(4)11/h3-4H,1-2,8H2,(H,12,13)(H,9,10,11)/t3-,4?/m1/s1
InChIKeyMGHIUUMYRIFPLD-SYPWQXSBSA-N
MW218.23 g/mol
LogP-1.45
Rot. Bonds4

About (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid

(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid (PubChem CID 118343597) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
PubChem CID118343597
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
SMILESN[C@H](CSC1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C7H10N2O4S/c8-3(7(12)13)2-14-4-1-5(10)9-6(4)11/h3-4H,1-2,8H2,(H,12,13)(H,9,10,11)/t3-,4?/m1/s1
InChIKeyMGHIUUMYRIFPLD-SYPWQXSBSA-N
XLogP-1.45
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid 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

2-amino-5-[[1-(carboxymethylamino)-3-(2,5-dioxopyrrolidin-3-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 70293198
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
CID 87423107
2-amino-3-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 4528077
2-amino-3-(3-hydroxy-4-oxocyclopent-2-en-1-yl)sulfanylpropanoic acid
CID 71200967
(2R)-2-amino-3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoic acid
CID 7036766
(2S)-2-amino-3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoic acid
CID 7036768
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
4-(2,5-dioxopyrrolidin-3-yl)sulfanylbenzoic acid
CID 43638344
(2S)-2-amino-4-oxo-4-phenylmethoxybutanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 174974607
(2S)-2-amino-3-[(3R)-1-(2,6-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 27404804
(2,5-dioxopyrrolidin-3-yl) 2,4-diamino-4-oxobutanoate
CID 170984053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid (CID 118343597) is (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid is N[C@H](CSC1CC(=O)NC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid?
The InChIKey is MGHIUUMYRIFPLD-SYPWQXSBSA-N. The full InChI is InChI=1S/C7H10N2O4S/c8-3(7(12)13)2-14-4-1-5(10)9-6(4)11/h3-4H,1-2,8H2,(H,12,13)(H,9,10,11)/t3-,4?/m1/s1.
What are the key properties of (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid?
(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid has a molecular weight of 218.23 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid is sourced from PubChem (CID 118343597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).