3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O4S — CID 66264325

IUPAC3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1(C)COCC1N
InChIInChI=1S/C13H22N2O4S/c1-7(2)10-15(8(5-20-10)11(16)17)12(18)13(3)6-19-4-9(13)14/h7-10H,4-6,14H2,1-3H3,(H,16,17)
InChIKeyWDDZDGHEZICMOT-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.36
Rot. Bonds3

About 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66264325) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID66264325
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1(C)COCC1N
InChIInChI=1S/C13H22N2O4S/c1-7(2)10-15(8(5-20-10)11(16)17)12(18)13(3)6-19-4-9(13)14/h7-10H,4-6,14H2,1-3H3,(H,16,17)
InChIKeyWDDZDGHEZICMOT-UHFFFAOYSA-N
XLogP0.36
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-3-methyloxolane-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904018
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63790622
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780792
3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64823094
3-[2-(1-aminocyclopentyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64677874
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79479655
3-(2-ethylpyrrolidine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 83071465
2-[8-(4-amino-3-methyloxolane-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79613001
3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 103357144

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 66264325) is 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)C1(C)COCC1N.
What is the InChIKey of 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WDDZDGHEZICMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-7(2)10-15(8(5-20-10)11(16)17)12(18)13(3)6-19-4-9(13)14/h7-10H,4-6,14H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66264325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).