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

C11H21NO2S — CID 97292543

IUPAC(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCC[C@@H]1N[C@H](C(=O)O)CS1
InChIInChI=1S/C11H21NO2S/c1-2-3-4-5-6-7-10-12-9(8-15-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyPBFKOPWETDLXRE-VHSXEESVSA-N
MW231.36 g/mol
LogP2.46
Rot. Bonds7

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

(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 97292543) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID97292543
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCCC[C@@H]1N[C@H](C(=O)O)CS1
InChIInChI=1S/C11H21NO2S/c1-2-3-4-5-6-7-10-12-9(8-15-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyPBFKOPWETDLXRE-VHSXEESVSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027
(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774011
4-methyl-2-pentyl-1,3-thiazolidine
CID 66219394
(2S,4R)-2-(2,2-dimethylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 93078392
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667
2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500835
(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774074

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid (CID 97292543) is (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid is CCCCCCC[C@@H]1N[C@H](C(=O)O)CS1.
What is the InChIKey of (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PBFKOPWETDLXRE-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-3-4-5-6-7-10-12-9(8-15-10)11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 231.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 97292543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).