2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C11H20N2O3S — CID 55235905

IUPAC2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CCNC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-7(2)4-5-12-11(16)13-8(3)17-6-9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyMVWBCIKWWGSWFP-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.59
Rot. Bonds4

About 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235905) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235905
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CCNC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-7(2)4-5-12-11(16)13-8(3)17-6-9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyMVWBCIKWWGSWFP-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781178
2-methyl-3-(pent-3-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 116644735
2-methyl-3-(2-methylsulfinylpropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113484412
3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
2-methyl-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 114188110
3-(1-cyclopropylpropan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63995740
2-methyl-3-(2-morpholin-4-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779442
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
2-methyl-3-(1-methylsulfonylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 64642077
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106346742
2-methyl-3-(2-pyrazol-1-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780942

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235905) is 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)CCNC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MVWBCIKWWGSWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-7(2)4-5-12-11(16)13-8(3)17-6-9(13)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).