(4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S2 — CID 134856305

IUPAC(4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)N[C@@H](C(=O)N2[C@H](C(=O)O)CSC2(C)C)CS1
InChIInChI=1S/C12H20N2O3S2/c1-11(2)13-7(5-18-11)9(15)14-8(10(16)17)6-19-12(14,3)4/h7-8,13H,5-6H2,1-4H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyGQMMNMLFTJODOO-SFYZADRCSA-N
MW304.44 g/mol
LogP1.19
Rot. Bonds2

About (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 134856305) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID134856305
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name(4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)N[C@@H](C(=O)N2[C@H](C(=O)O)CSC2(C)C)CS1
InChIInChI=1S/C12H20N2O3S2/c1-11(2)13-7(5-18-11)9(15)14-8(10(16)17)6-19-12(14,3)4/h7-8,13H,5-6H2,1-4H3,(H,16,17)/t7-,8+/m1/s1
InChIKeyGQMMNMLFTJODOO-SFYZADRCSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 134856305) is (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)N[C@@H](C(=O)N2[C@H](C(=O)O)CSC2(C)C)CS1.
What is the InChIKey of (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GQMMNMLFTJODOO-SFYZADRCSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-11(2)13-7(5-18-11)9(15)14-8(10(16)17)6-19-12(14,3)4/h7-8,13H,5-6H2,1-4H3,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 304.44 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4S)-2,2-dimethyl-1,3-thiazolidine-4-carbonyl]-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 134856305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).