2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

C11H13N3O6S — CID 60845905

IUPAC2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H13N3O6S/c15-9-4-12-8(3-13-9)11(18)14(5-10(16)17)7-1-2-21(19,20)6-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,16,17)
InChIKeyMKCZRTFBJRRCTI-UHFFFAOYSA-N
MW315.31 g/mol
LogP-1.52
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (PubChem CID 60845905) has the molecular formula C11H13N3O6S and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
PubChem CID60845905
Molecular FormulaC11H13N3O6S
Molecular Weight315.31 g/mol
Exact Mass315.05
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H13N3O6S/c15-9-4-12-8(3-13-9)11(18)14(5-10(16)17)7-1-2-21(19,20)6-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,16,17)
InChIKeyMKCZRTFBJRRCTI-UHFFFAOYSA-N
XLogP-1.52
TPSA137.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28791213
4-methylsulfonyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 43105233
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
2-methyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236085
2-ethyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236872
2-[(1,1-Dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 60845210
3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781934
3-(6-oxo-1H-pyrazine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792948
4-(6-oxo-1H-pyrazine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82900479
N-(1,1-dioxothiolan-3-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 108474738
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-1H-pyrazine-3-carboxamide
CID 108474739
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 108474740

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid (CID 60845905) is 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1c[nH]c(=O)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
The InChIKey is MKCZRTFBJRRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6S/c15-9-4-12-8(3-13-9)11(18)14(5-10(16)17)7-1-2-21(19,20)6-7/h3-4,7H,1-2,5-6H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid has a molecular weight of 315.31 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 60845905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).