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

C15H27NO3S — CID 63792526

IUPAC2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C15H27NO3S/c1-3-5-6-7-8-9-10-13(17)16-12(15(18)19)11-20-14(16)4-2/h12,14H,3-11H2,1-2H3,(H,18,19)
InChIKeyZXLOWIMSVZWUDF-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.50
Rot. Bonds9

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

2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792526) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792526
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C15H27NO3S/c1-3-5-6-7-8-9-10-13(17)16-12(15(18)19)11-20-14(16)4-2/h12,14H,3-11H2,1-2H3,(H,18,19)
InChIKeyZXLOWIMSVZWUDF-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792861
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-[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-pentyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728675
2-ethyl-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791672
(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 7437961

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid (CID 63792526) is 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid is CCCCCCCCC(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZXLOWIMSVZWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-3-5-6-7-8-9-10-13(17)16-12(15(18)19)11-20-14(16)4-2/h12,14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.45 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).