(4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C11H13N3O5S — CID 61143305

IUPAC(4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)N2CSC[C@H]2C(=O)O)c1=O
InChIInChI=1S/C11H13N3O5S/c1-12-8(15)2-3-13(11(12)19)4-9(16)14-6-20-5-7(14)10(17)18/h2-3,7H,4-6H2,1H3,(H,17,18)/t7-/m0/s1
InChIKeyDMMNTQDTQZAQEV-ZETCQYMHSA-N
MW299.31 g/mol
LogP-1.47
Rot. Bonds3

About (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61143305) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61143305
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name(4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)N2CSC[C@H]2C(=O)O)c1=O
InChIInChI=1S/C11H13N3O5S/c1-12-8(15)2-3-13(11(12)19)4-9(16)14-6-20-5-7(14)10(17)18/h2-3,7H,4-6H2,1H3,(H,17,18)/t7-/m0/s1
InChIKeyDMMNTQDTQZAQEV-ZETCQYMHSA-N
XLogP-1.47
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693844
(4R)-3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28179847
(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28791273
3-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172216
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211293
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353478
3-[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359456
(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144976
(2S)-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61152136
3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779599
3-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790560
2-Methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790574

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61143305) is (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is Cn1c(=O)ccn(CC(=O)N2CSC[C@H]2C(=O)O)c1=O.
What is the InChIKey of (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DMMNTQDTQZAQEV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-12-8(15)2-3-13(11(12)19)4-9(16)14-6-20-5-7(14)10(17)18/h2-3,7H,4-6H2,1H3,(H,17,18)/t7-/m0/s1.
What are the key properties of (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of -1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61143305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).