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

C10H11N3O5S — CID 61144976

IUPAC(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O5S/c14-7-1-2-12(10(18)11-7)3-8(15)13-5-19-4-6(13)9(16)17/h1-2,6H,3-5H2,(H,16,17)(H,11,14,18)/t6-/m0/s1
InChIKeyNXLAXATZFQQFIF-LURJTMIESA-N
MW285.28 g/mol
LogP-1.48
Rot. Bonds3

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

(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144976) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144976
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O5S/c14-7-1-2-12(10(18)11-7)3-8(15)13-5-19-4-6(13)9(16)17/h1-2,6H,3-5H2,(H,16,17)(H,11,14,18)/t6-/m0/s1
InChIKeyNXLAXATZFQQFIF-LURJTMIESA-N
XLogP-1.48
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 42600451
[2-Amino-3-(2,4-dioxopyrimidin-1-yl)propanoyl] 1,3-thiazolidine-4-carboxylate
CID 87126136
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-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28773380
(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-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43209510
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211293
2-[[2-(3-Methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353472
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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61144976) is (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NXLAXATZFQQFIF-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O5S/c14-7-1-2-12(10(18)11-7)3-8(15)13-5-19-4-6(13)9(16)17/h1-2,6H,3-5H2,(H,16,17)(H,11,14,18)/t6-/m0/s1.
What are the key properties of (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of -1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).