methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate

C10H16N2O4S — CID 43408832

IUPACmethyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCN1CCSC1=O
InChIInChI=1S/C10H16N2O4S/c1-11(7-9(14)16-2)8(13)3-4-12-5-6-17-10(12)15/h3-7H2,1-2H3
InChIKeyYOORIWGUVCSGKY-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.18
Rot. Bonds5

About methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate

methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate (PubChem CID 43408832) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate
PubChem CID43408832
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCN1CCSC1=O
InChIInChI=1S/C10H16N2O4S/c1-11(7-9(14)16-2)8(13)3-4-12-5-6-17-10(12)15/h3-7H2,1-2H3
InChIKeyYOORIWGUVCSGKY-UHFFFAOYSA-N
XLogP0.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate 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 methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate (CID 43408832) is methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate is COC(=O)CN(C)C(=O)CCN1CCSC1=O.
What is the InChIKey of methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate?
The InChIKey is YOORIWGUVCSGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-11(7-9(14)16-2)8(13)3-4-12-5-6-17-10(12)15/h3-7H2,1-2H3.
What are the key properties of methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate?
methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate has a molecular weight of 260.31 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]amino]acetate is sourced from PubChem (CID 43408832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).