3-pentyl-1,3-thiazolidine-4-carboxylic acid

C9H17NO2S — CID 68916586

IUPAC3-pentyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCN1CSCC1C(=O)O
InChIInChI=1S/C9H17NO2S/c1-2-3-4-5-10-7-13-6-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyAGLKHFAUKBYYOL-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.64
Rot. Bonds5

About 3-pentyl-1,3-thiazolidine-4-carboxylic acid

3-pentyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 68916586) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-pentyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-pentyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID68916586
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-pentyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCN1CSCC1C(=O)O
InChIInChI=1S/C9H17NO2S/c1-2-3-4-5-10-7-13-6-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyAGLKHFAUKBYYOL-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.64
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

CID 583513
CID 583513
CID 3132640
CID 3132640
CID 432027
CID 432027
CID 45084700
CID 45084700
CID 44370453
CID 44370453
CID 13572260
CID 13572260
CID 17978710
CID 17978710
CID 427138
CID 427138
CID 13572259
CID 13572259
CID 2727681
CID 2727681
CID 3734987
CID 3734987
CID 90896026
CID 90896026

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-pentyl-1,3-thiazolidine-4-carboxylic acid (CID 68916586) is 3-pentyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-pentyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-pentyl-1,3-thiazolidine-4-carboxylic acid is CCCCCN1CSCC1C(=O)O.
What is the InChIKey of 3-pentyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AGLKHFAUKBYYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-3-4-5-10-7-13-6-8(10)9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-pentyl-1,3-thiazolidine-4-carboxylic acid?
3-pentyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 203.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 68916586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).