1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid

C10H17NO5S — CID 79369286

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H17NO5S/c1-6-7(10(13)14)2-3-11(6)8-4-17(15,16)5-9(8)12/h6-9,12H,2-5H2,1H3,(H,13,14)
InChIKeyNCMPLGDRXJQUTA-UHFFFAOYSA-N
MW263.31 g/mol
LogP-1.06
Rot. Bonds2

About 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid

1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369286) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369286
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C10H17NO5S/c1-6-7(10(13)14)2-3-11(6)8-4-17(15,16)5-9(8)12/h6-9,12H,2-5H2,1H3,(H,13,14)
InChIKeyNCMPLGDRXJQUTA-UHFFFAOYSA-N
XLogP-1.06
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid (CID 79369286) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C1CS(=O)(=O)CC1O.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NCMPLGDRXJQUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-6-7(10(13)14)2-3-11(6)8-4-17(15,16)5-9(8)12/h6-9,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).