3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid

C9H16N2O4S — CID 103155360

IUPAC3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(CN)CC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H16N2O4S/c1-15-6(3-10)2-8(12)11-5-16-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyHGLLABDUGKAHLJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.66
Rot. Bonds5

About 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid

3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103155360) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID103155360
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(CN)CC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H16N2O4S/c1-15-6(3-10)2-8(12)11-5-16-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyHGLLABDUGKAHLJ-UHFFFAOYSA-N
XLogP-0.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 103155360) is 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid is COC(CN)CC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HGLLABDUGKAHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-15-6(3-10)2-8(12)11-5-16-4-7(11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14).
What are the key properties of 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103155360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).