(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H15N3O5S — CID 66076382

IUPAC(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-11(2)9(18)12-7(15)3-14(11)10(19)13-5-20-4-6(13)8(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
InChIKeyRXKOGRJFLGIJTO-LURJTMIESA-N
MW301.32 g/mol
LogP-0.70
Rot. Bonds1

About (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 66076382) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID66076382
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-11(2)9(18)12-7(15)3-14(11)10(19)13-5-20-4-6(13)8(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
InChIKeyRXKOGRJFLGIJTO-LURJTMIESA-N
XLogP-0.70
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 66076382) is (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1(C)C(=O)NC(=O)CN1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RXKOGRJFLGIJTO-LURJTMIESA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-11(2)9(18)12-7(15)3-14(11)10(19)13-5-20-4-6(13)8(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,15,18)/t6-/m0/s1.
What are the key properties of (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 66076382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).