4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid

C10H17NO5S — CID 43360097

IUPAC4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO5S/c1-11(5-2-3-9(12)13)10(14)8-4-6-17(15,16)7-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyBUORMYTYKVHRGO-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.26
Rot. Bonds5

About 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid

4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid (PubChem CID 43360097) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid
PubChem CID43360097
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO5S/c1-11(5-2-3-9(12)13)10(14)8-4-6-17(15,16)7-8/h8H,2-7H2,1H3,(H,12,13)
InChIKeyBUORMYTYKVHRGO-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic 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 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid (CID 43360097) is 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid?
The InChIKey is BUORMYTYKVHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-11(5-2-3-9(12)13)10(14)8-4-6-17(15,16)7-8/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid?
4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid has a molecular weight of 263.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolane-3-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43360097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).