2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

C10H13N3O6S — CID 60845210

IUPAC2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O6S/c14-8(15)4-13(6-1-2-20(18,19)5-6)9(16)7-3-11-10(17)12-7/h3,6H,1-2,4-5H2,(H,14,15)(H2,11,12,17)
InChIKeyITQISLWNEAUGBO-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.58
Rot. Bonds4

About 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid

2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (PubChem CID 60845210) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
PubChem CID60845210
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1c[nH]c(=O)[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H13N3O6S/c14-8(15)4-13(6-1-2-20(18,19)5-6)9(16)7-3-11-10(17)12-7/h3,6H,1-2,4-5H2,(H,14,15)(H2,11,12,17)
InChIKeyITQISLWNEAUGBO-UHFFFAOYSA-N
XLogP-1.58
TPSA140.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid with MolForge

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Related Compounds

(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28791273
4-Methylsulfonyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43211268
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211293
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235714
2-Ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237650
2-[(1,1-dioxothiolan-3-yl)-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 60845905
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781940
2-Methyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790574
2-[1,1-Dioxo-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,4-thiazinan-3-yl]acetic acid
CID 80518465
3-(1,1-dioxothiolan-3-yl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479244
5-amino-3-(1,1-dioxothiolan-3-yl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82484905

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid (CID 60845210) is 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1c[nH]c(=O)[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
The InChIKey is ITQISLWNEAUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c14-8(15)4-13(6-1-2-20(18,19)5-6)9(16)7-3-11-10(17)12-7/h3,6H,1-2,4-5H2,(H,14,15)(H2,11,12,17).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid?
2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid has a molecular weight of 303.30 g/mol, XLogP of -1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 60845210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).