(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O4S — CID 61143319

IUPAC(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)NCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-9(15)13-6-4-2-3-5-11(16)14-8-19-7-10(14)12(17)18/h10H,2-8H2,1H3,(H,13,15)(H,17,18)/t10-/m0/s1
InChIKeyDFJLQJQJLGLJQB-JTQLQIEISA-N
MW288.37 g/mol
LogP0.67
Rot. Bonds7

About (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143319) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143319
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)NCCCCCC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-9(15)13-6-4-2-3-5-11(16)14-8-19-7-10(14)12(17)18/h10H,2-8H2,1H3,(H,13,15)(H,17,18)/t10-/m0/s1
InChIKeyDFJLQJQJLGLJQB-JTQLQIEISA-N
XLogP0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-3-(6-acetamidohexanoyl)-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

(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
1-(6-acetamidohexanoyl)azepane-2-carboxylic acid
CID 64559922
1-(6-acetamidohexanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359689
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
1-(6-acetamidohexanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363933
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61143319) is (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid is CC(=O)NCCCCCC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DFJLQJQJLGLJQB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9(15)13-6-4-2-3-5-11(16)14-8-19-7-10(14)12(17)18/h10H,2-8H2,1H3,(H,13,15)(H,17,18)/t10-/m0/s1.
What are the key properties of (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(6-acetamidohexanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).