3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C15H28N2O3S — CID 65291778

IUPAC3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C15H28N2O3S/c1-4-5-13-17(11(10-21-13)14(19)20)12(18)6-7-15(2,3)8-9-16/h11,13H,4-10,16H2,1-3H3,(H,19,20)
InChIKeyDDLGYZFNXCJKKY-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.30
Rot. Bonds8

About 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65291778) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID65291778
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)CCC(C)(C)CCN
InChIInChI=1S/C15H28N2O3S/c1-4-5-13-17(11(10-21-13)14(19)20)12(18)6-7-15(2,3)8-9-16/h11,13H,4-10,16H2,1-3H3,(H,19,20)
InChIKeyDDLGYZFNXCJKKY-UHFFFAOYSA-N
XLogP2.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 65291778) is 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)CCC(C)(C)CCN.
What is the InChIKey of 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DDLGYZFNXCJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-4-5-13-17(11(10-21-13)14(19)20)12(18)6-7-15(2,3)8-9-16/h11,13H,4-10,16H2,1-3H3,(H,19,20).
What are the key properties of 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 316.47 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65291778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).