2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid

C11H19NO3S — CID 63792524

IUPAC2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C11H19NO3S/c1-3-5-6-9(13)12-8(11(14)15)7-16-10(12)4-2/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyJZESDLDQLHZONF-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.94
Rot. Bonds5

About 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792524) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792524
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C11H19NO3S/c1-3-5-6-9(13)12-8(11(14)15)7-16-10(12)4-2/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyJZESDLDQLHZONF-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
2-ethyl-3-(3-propoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791513
3-(4-ethoxy-4-oxobutanoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63790593
2-ethyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792537
3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792861
(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 7437961
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781779
3-(2-cyclopentylacetyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63791676
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
2-ethyl-3-(2-ethylhexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790618
2-ethyl-3-(3-phenoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790936

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid (CID 63792524) is 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid is CCCCC(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JZESDLDQLHZONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-5-6-9(13)12-8(11(14)15)7-16-10(12)4-2/h8,10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 245.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).