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

C12H22N2O4S — CID 103155911

IUPAC3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)CC(CN)OC
InChIInChI=1S/C12H22N2O4S/c1-3-4-11-14(9(7-19-11)12(16)17)10(15)5-8(6-13)18-2/h8-9,11H,3-7,13H2,1-2H3,(H,16,17)
InChIKeyUAQWUEZCACXATM-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.50
Rot. Bonds7

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

3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 103155911) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID103155911
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)CC(CN)OC
InChIInChI=1S/C12H22N2O4S/c1-3-4-11-14(9(7-19-11)12(16)17)10(15)5-8(6-13)18-2/h8-9,11H,3-7,13H2,1-2H3,(H,16,17)
InChIKeyUAQWUEZCACXATM-UHFFFAOYSA-N
XLogP0.50
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 65291778
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104685106
3-(4-methoxypiperidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780001
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 103155360
3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64890139
3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780750
3-(2-propan-2-yloxyethylcarbamoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104763793
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779770

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 103155911) is 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)CC(CN)OC.
What is the InChIKey of 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UAQWUEZCACXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-3-4-11-14(9(7-19-11)12(16)17)10(15)5-8(6-13)18-2/h8-9,11H,3-7,13H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 0.50, 7 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)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 103155911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).