5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid

C15H27N3O4S — CID 68760439

IUPAC5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(C)C(=O)NC(C(=O)N1CSC(C)(C)C1C(=O)O)C(C)C
InChIInChI=1S/C15H27N3O4S/c1-8(2)10(17-12(19)9(3)16-6)13(20)18-7-23-15(4,5)11(18)14(21)22/h8-11,16H,7H2,1-6H3,(H,17,19)(H,21,22)
InChIKeyDCHULLQOEBIPJV-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.50
Rot. Bonds6

About 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid

5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68760439) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID68760439
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCNC(C)C(=O)NC(C(=O)N1CSC(C)(C)C1C(=O)O)C(C)C
InChIInChI=1S/C15H27N3O4S/c1-8(2)10(17-12(19)9(3)16-6)13(20)18-7-23-15(4,5)11(18)14(21)22/h8-11,16H,7H2,1-6H3,(H,17,19)(H,21,22)
InChIKeyDCHULLQOEBIPJV-UHFFFAOYSA-N
XLogP0.50
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

Leucylmethionine
CID 118276
Isoleucylmethionine
CID 17863274
L-Valine, N-L-methionyl-, radical ion(1-)
CID 23274411
Valyl-Methionine
CID 6993039
Butylmercaptomethylpenicillin
CID 201537
Rit 2214
CID 198349
Trimethionine
CID 3082062
Val-Met
CID 292427
Met-Leu
CID 3425788
Prolylmethionine
CID 5233577
(2S,3S)-2-((S)-2-Amino-4-(methylthio)butanamido)-3-methylpentanoic acid
CID 18218228
Pro-Met
CID 7408173

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 68760439) is 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid is CNC(C)C(=O)NC(C(=O)N1CSC(C)(C)C1C(=O)O)C(C)C.
What is the InChIKey of 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DCHULLQOEBIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-8(2)10(17-12(19)9(3)16-6)13(20)18-7-23-15(4,5)11(18)14(21)22/h8-11,16H,7H2,1-6H3,(H,17,19)(H,21,22).
What are the key properties of 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid?
5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 345.47 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).