2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid

C6H6N2O4S — CID 83633704

IUPAC2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
SMILESO=C(O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H6N2O4S/c9-4(5(10)11)7-1-3-2-13-6(12)8-3/h2H,1H2,(H,7,9)(H,8,12)(H,10,11)
InChIKeyYYSJFTSTSDAJIS-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.86
Rot. Bonds2

About 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid

2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid (PubChem CID 83633704) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
PubChem CID83633704
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Name2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
SMILESO=C(O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C6H6N2O4S/c9-4(5(10)11)7-1-3-2-13-6(12)8-3/h2H,1H2,(H,7,9)(H,8,12)(H,10,11)
InChIKeyYYSJFTSTSDAJIS-UHFFFAOYSA-N
XLogP-0.86
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
The IUPAC name of 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid (CID 83633704) is 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid.
What is the SMILES notation for 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
The canonical SMILES for 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid is O=C(O)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
The InChIKey is YYSJFTSTSDAJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c9-4(5(10)11)7-1-3-2-13-6(12)8-3/h2H,1H2,(H,7,9)(H,8,12)(H,10,11).
What are the key properties of 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid has a molecular weight of 202.19 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid is sourced from PubChem (CID 83633704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).