3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid

C12H21NO3S — CID 42744251

IUPAC3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CC1SCC(C(=O)O)N1C(=O)C(C)C
InChIInChI=1S/C12H21NO3S/c1-7(2)5-10-13(11(14)8(3)4)9(6-17-10)12(15)16/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyZBAJVLWHMHWXGX-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.04
Rot. Bonds4

About 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 42744251) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID42744251
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)CC1SCC(C(=O)O)N1C(=O)C(C)C
InChIInChI=1S/C12H21NO3S/c1-7(2)5-10-13(11(14)8(3)4)9(6-17-10)12(15)16/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyZBAJVLWHMHWXGX-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 7438953
N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748095
(2R,4R)-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809618
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748094
3-[(2R)-2-amino-3-methylbutanoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79013021
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748082
3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748097
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 165476474
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
2-ethyl-3-(2-ethylhexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790618

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (CID 42744251) is 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)CC1SCC(C(=O)O)N1C(=O)C(C)C.
What is the InChIKey of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZBAJVLWHMHWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-7(2)5-10-13(11(14)8(3)4)9(6-17-10)12(15)16/h7-10H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 259.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 42744251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).