3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

C10H17NO3S — CID 24702600

IUPAC3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(CC)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H17NO3S/c1-3-7(4-2)9(12)11-6-15-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyLVTWJUWWPDZFSS-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.41
Rot. Bonds4

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

3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 24702600) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID24702600
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(CC)C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H17NO3S/c1-3-7(4-2)9(12)11-6-15-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyLVTWJUWWPDZFSS-UHFFFAOYSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-3-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157451
3-(4-amino-2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80542987
3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
3-(2-amino-3-carboxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 64895742
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4S)-3-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 12889997
(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79814048
3-[butan-2-yl(butyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55004481
(4S)-3-[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 18397279
2-ethyl-1-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42745459
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 24702600) is 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is CCC(CC)C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LVTWJUWWPDZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-3-7(4-2)9(12)11-6-15-5-8(11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 231.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 24702600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).