3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid

C11H15N3O5S — CID 173365822

IUPAC3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid
SMILESCON=C(C(=O)O)C(C)(CC(=O)O)Cc1csc(N)n1
InChIInChI=1S/C11H15N3O5S/c1-11(4-7(15)16,8(9(17)18)14-19-2)3-6-5-20-10(12)13-6/h5H,3-4H2,1-2H3,(H2,12,13)(H,15,16)(H,17,18)
InChIKeyPWKKXSQRKNQGMB-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.84
Rot. Bonds7

About 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid

3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid (PubChem CID 173365822) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid
PubChem CID173365822
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid
SMILESCON=C(C(=O)O)C(C)(CC(=O)O)Cc1csc(N)n1
InChIInChI=1S/C11H15N3O5S/c1-11(4-7(15)16,8(9(17)18)14-19-2)3-6-5-20-10(12)13-6/h5H,3-4H2,1-2H3,(H2,12,13)(H,15,16)(H,17,18)
InChIKeyPWKKXSQRKNQGMB-UHFFFAOYSA-N
XLogP0.84
TPSA135.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid?
The IUPAC name of 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid (CID 173365822) is 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid.
What is the SMILES notation for 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid?
The canonical SMILES for 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid is CON=C(C(=O)O)C(C)(CC(=O)O)Cc1csc(N)n1.
What is the InChIKey of 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid?
The InChIKey is PWKKXSQRKNQGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-11(4-7(15)16,8(9(17)18)14-19-2)3-6-5-20-10(12)13-6/h5H,3-4H2,1-2H3,(H2,12,13)(H,15,16)(H,17,18).
What are the key properties of 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid?
3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid has a molecular weight of 301.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxyimino-3-methylpentanedioic acid is sourced from PubChem (CID 173365822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).