2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid

C8H9N3O5S — CID 139701853

IUPAC2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCC(=O)Nc1nc(C(=NO)C(=O)O)cs1
InChIInChI=1S/C8H9N3O5S/c1-16-2-5(12)10-8-9-4(3-17-8)6(11-15)7(13)14/h3,15H,2H2,1H3,(H,13,14)(H,9,10,12)
InChIKeyRSUUDVIUSSTZOQ-UHFFFAOYSA-N
MW259.24 g/mol
LogP-0.01
Rot. Bonds5

About 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid

2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 139701853) has the molecular formula C8H9N3O5S and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID139701853
Molecular FormulaC8H9N3O5S
Molecular Weight259.24 g/mol
Exact Mass259.03
IUPAC Name2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCOCC(=O)Nc1nc(C(=NO)C(=O)O)cs1
InChIInChI=1S/C8H9N3O5S/c1-16-2-5(12)10-8-9-4(3-17-8)6(11-15)7(13)14/h3,15H,2H2,1H3,(H,13,14)(H,9,10,12)
InChIKeyRSUUDVIUSSTZOQ-UHFFFAOYSA-N
XLogP-0.01
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 139701853) is 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid is COCC(=O)Nc1nc(C(=NO)C(=O)O)cs1.
What is the InChIKey of 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RSUUDVIUSSTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5S/c1-16-2-5(12)10-8-9-4(3-17-8)6(11-15)7(13)14/h3,15H,2H2,1H3,(H,13,14)(H,9,10,12).
What are the key properties of 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 259.24 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-[2-[(2-methoxyacetyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 139701853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).