3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C15H28N2O3S — CID 63780792

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C15H28N2O3S/c1-9(2)12-17(11(8-21-12)13(18)19)14(20)16(7)10(3)15(4,5)6/h9-12H,8H2,1-7H3,(H,18,19)
InChIKeyCWLFHIBDVLFPNT-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.96
Rot. Bonds3

About 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780792) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780792
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C15H28N2O3S/c1-9(2)12-17(11(8-21-12)13(18)19)14(20)16(7)10(3)15(4,5)6/h9-12H,8H2,1-7H3,(H,18,19)
InChIKeyCWLFHIBDVLFPNT-UHFFFAOYSA-N
XLogP2.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662
3-[2-(ethylamino)-2-methylpropanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235898
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779895
3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781031
(2R,4S)-3-(2-chlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033230
3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780098
3-(dicyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780949
(2S,4S)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033237
3-[cyclopropylmethyl(propyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779873

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63780792) is 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CWLFHIBDVLFPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-9(2)12-17(11(8-21-12)13(18)19)14(20)16(7)10(3)15(4,5)6/h9-12H,8H2,1-7H3,(H,18,19).
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 316.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).