1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C11H18N2O5S — CID 63145866

IUPAC1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H18N2O5S/c1-11(9(14)15)3-4-13(7-11)10(16)12-8-2-5-19(17,18)6-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyQADHWDBOSLNTTM-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.32
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63145866) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63145866
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H18N2O5S/c1-11(9(14)15)3-4-13(7-11)10(16)12-8-2-5-19(17,18)6-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyQADHWDBOSLNTTM-UHFFFAOYSA-N
XLogP-0.32
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63145866) is 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QADHWDBOSLNTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-11(9(14)15)3-4-13(7-11)10(16)12-8-2-5-19(17,18)6-8/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).