3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

C12H22N2O4S — CID 63780750

IUPAC3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N(C)CCOC
InChIInChI=1S/C12H22N2O4S/c1-4-5-10-14(9(8-19-10)11(15)16)12(17)13(2)6-7-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyLGTIVQTXRAFGJX-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.31
Rot. Bonds6

About 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780750) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780750
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N(C)CCOC
InChIInChI=1S/C12H22N2O4S/c1-4-5-10-14(9(8-19-10)11(15)16)12(17)13(2)6-7-18-3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyLGTIVQTXRAFGJX-UHFFFAOYSA-N
XLogP1.31
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxyethyl(propyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780042
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 115986645
3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781187
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-[2-cyanopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780785

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63780750) is 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)N(C)CCOC.
What is the InChIKey of 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LGTIVQTXRAFGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-5-10-14(9(8-19-10)11(15)16)12(17)13(2)6-7-18-3/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).