3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H16N2O5S — CID 54969155

IUPAC3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-3-17-8(13)4-11(2)10(16)12-6-18-5-7(12)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyIDYJGKKVVBOQMK-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.06
Rot. Bonds4

About 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54969155) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54969155
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)CN(C)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H16N2O5S/c1-3-17-8(13)4-11(2)10(16)12-6-18-5-7(12)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyIDYJGKKVVBOQMK-UHFFFAOYSA-N
XLogP0.06
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4R)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003404
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425406
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204589
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61197717

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 54969155) is 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)CN(C)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IDYJGKKVVBOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-3-17-8(13)4-11(2)10(16)12-6-18-5-7(12)9(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54969155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).