3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C9H15NO4S — CID 63781303

IUPAC3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C9H15NO4S/c1-5(2)7-10(9(13)14-3)6(4-15-7)8(11)12/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyVCKOXYVFIGBGTR-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.24
Rot. Bonds2

About 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781303) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781303
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)N1C(C(=O)O)CSC1C(C)C
InChIInChI=1S/C9H15NO4S/c1-5(2)7-10(9(13)14-3)6(4-15-7)8(11)12/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyVCKOXYVFIGBGTR-UHFFFAOYSA-N
XLogP1.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-[2-(2-methoxyethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781042
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231
3-(dicyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780949
3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780098
3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779895
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780792
3-(3-aminopropylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55236303
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79479655
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63781303) is 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is COC(=O)N1C(C(=O)O)CSC1C(C)C.
What is the InChIKey of 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VCKOXYVFIGBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-5(2)7-10(9(13)14-3)6(4-15-7)8(11)12/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).