(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid

C15H29NO2S — CID 2727678

IUPAC(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCCCCC1N[C@H](C(=O)O)CS1
InChIInChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-13(12-19-14)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/t13-,14?/m0/s1
InChIKeyFNBSOIBCKUUVJJ-LSLKUGRBSA-N
MW287.47 g/mol
LogP4.02
Rot. Bonds11

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

(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2727678) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID2727678
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCCCCCCC1N[C@H](C(=O)O)CS1
InChIInChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-13(12-19-14)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/t13-,14?/m0/s1
InChIKeyFNBSOIBCKUUVJJ-LSLKUGRBSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid (CID 2727678) is (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid is CCCCCCCCCCCC1N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FNBSOIBCKUUVJJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-3-4-5-6-7-8-9-10-11-14-16-13(12-19-14)15(17)18/h13-14,16H,2-12H2,1H3,(H,17,18)/t13-,14?/m0/s1.
What are the key properties of (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.47 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2727678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).