methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate

C10H16N2O4S — CID 55008549

IUPACmethyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CSC(=O)N1
InChIInChI=1S/C10H16N2O4S/c1-6(9(14)16-3)4-12(2)8(13)7-5-17-10(15)11-7/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyCEWGAFOBELFHJP-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.08
Rot. Bonds4

About methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate

methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate (PubChem CID 55008549) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
PubChem CID55008549
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C1CSC(=O)N1
InChIInChI=1S/C10H16N2O4S/c1-6(9(14)16-3)4-12(2)8(13)7-5-17-10(15)11-7/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyCEWGAFOBELFHJP-UHFFFAOYSA-N
XLogP0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 62686799
2-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 43211125
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
methyl 2-methyl-3-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 78981244
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
3-[(2-oxo-1,3-thiazolidine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 60831231
methyl 2-methyl-3-[methyl-(3-methylpiperidine-4-carbonyl)amino]propanoate
CID 114278839
N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106627305
2-[butan-2-yl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60828880
methyl 3-[(2,2-dimethylcyclopentanecarbonyl)-methylamino]-2-methylpropanoate
CID 104919723
methyl 2-methyl-3-[methyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79763237
methyl 2-methyl-3-[methyl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)amino]propanoate
CID 79353829

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate (CID 55008549) is methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)C1CSC(=O)N1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate?
The InChIKey is CEWGAFOBELFHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-6(9(14)16-3)4-12(2)8(13)7-5-17-10(15)11-7/h6-7H,4-5H2,1-3H3,(H,11,15).
What are the key properties of methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate has a molecular weight of 260.31 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 55008549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).