3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid

C7H9NO5S — CID 104570476

IUPAC3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CN1C(=O)CSCC1=O
InChIInChI=1S/C7H9NO5S/c9-4(7(12)13)1-8-5(10)2-14-3-6(8)11/h4,9H,1-3H2,(H,12,13)
InChIKeyBHZNHNFAVIAOSQ-UHFFFAOYSA-N
MW219.22 g/mol
LogP-1.47
Rot. Bonds3

About 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid

3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid (PubChem CID 104570476) has the molecular formula C7H9NO5S and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid
PubChem CID104570476
Molecular FormulaC7H9NO5S
Molecular Weight219.22 g/mol
Exact Mass219.02
IUPAC Name3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CN1C(=O)CSCC1=O
InChIInChI=1S/C7H9NO5S/c9-4(7(12)13)1-8-5(10)2-14-3-6(8)11/h4,9H,1-3H2,(H,12,13)
InChIKeyBHZNHNFAVIAOSQ-UHFFFAOYSA-N
XLogP-1.47
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic 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

4-(2,3-Dihydroxypropyl)thiomorpholin-3-one
CID 71319107
4-(2-Methylsulfanylacetyl)morpholine-2-carboxylic acid
CID 61736328
4-[2-(2-Methoxyethylsulfanyl)acetyl]morpholine-2-carboxylic acid
CID 61736941
4-(2-Propan-2-ylsulfanylacetyl)morpholine-2-carboxylic acid
CID 61738494
Methyl 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoate
CID 103491449
3-(2,3-Dihydroxypropyl)-1,3-thiazinane-2,4-dione
CID 104162347
3-(3,5-Dioxothiomorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
CID 104570477
4-(2,3-Dihydroxypropyl)thiomorpholine-3,5-dione
CID 104570936
3-(3,5-Dioxothiomorpholin-4-yl)-2-methoxypropanoic acid
CID 106108312
4-(3,5-Dioxothiomorpholin-4-yl)-2-hydroxybutanoic acid
CID 107835364
4-(2-Methylsulfanylpropanoyl)morpholine-2-carboxylic acid
CID 115731460
(6R)-6-methyl-4-(2-methylsulfanylacetyl)morpholine-2-carboxylic acid
CID 120245370

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid (CID 104570476) is 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid is O=C(O)C(O)CN1C(=O)CSCC1=O.
What is the InChIKey of 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid?
The InChIKey is BHZNHNFAVIAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5S/c9-4(7(12)13)1-8-5(10)2-14-3-6(8)11/h4,9H,1-3H2,(H,12,13).
What are the key properties of 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid?
3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid has a molecular weight of 219.22 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxothiomorpholin-4-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 104570476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).