3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H24N2O3S — CID 104685106

IUPAC3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C(C)CCCN
InChIInChI=1S/C13H24N2O3S/c1-3-5-11-15(10(8-19-11)13(17)18)12(16)9(2)6-4-7-14/h9-11H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyOSIMVRFTXSUWFC-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.52
Rot. Bonds7

About 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104685106) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID104685106
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C(C)CCCN
InChIInChI=1S/C13H24N2O3S/c1-3-5-11-15(10(8-19-11)13(17)18)12(16)9(2)6-4-7-14/h9-11H,3-8,14H2,1-2H3,(H,17,18)
InChIKeyOSIMVRFTXSUWFC-UHFFFAOYSA-N
XLogP1.52
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 104685106) is 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C(C)CCCN.
What is the InChIKey of 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OSIMVRFTXSUWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-11-15(10(8-19-11)13(17)18)12(16)9(2)6-4-7-14/h9-11H,3-8,14H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104685106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).