2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C9H16N2O3S — CID 63792869

IUPAC2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(C)C(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-5(10-3)8(12)11-6(2)15-4-7(11)9(13)14/h5-7,10H,4H2,1-3H3,(H,13,14)
InChIKeyVMLDFGWFCLMYEN-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.03
Rot. Bonds3

About 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792869) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792869
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(C)C(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-5(10-3)8(12)11-6(2)15-4-7(11)9(13)14/h5-7,10H,4H2,1-3H3,(H,13,14)
InChIKeyVMLDFGWFCLMYEN-UHFFFAOYSA-N
XLogP-0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63792869) is 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is CNC(C)C(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VMLDFGWFCLMYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-5(10-3)8(12)11-6(2)15-4-7(11)9(13)14/h5-7,10H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(methylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).