methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate

C10H10N2O4S — CID 137128714

IUPACmethyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate
SMILESCOC(=O)C(=[N+]=[N-])C(=O)CC(O)c1cccs1
InChIInChI=1S/C10H10N2O4S/c1-16-10(15)9(12-11)7(14)5-6(13)8-3-2-4-17-8/h2-4,6,13H,5H2,1H3
InChIKeyVDJJTHAOEDOXNN-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.58
Rot. Bonds5

About methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate

methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate (PubChem CID 137128714) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate
PubChem CID137128714
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Namemethyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate
SMILESCOC(=O)C(=[N+]=[N-])C(=O)CC(O)c1cccs1
InChIInChI=1S/C10H10N2O4S/c1-16-10(15)9(12-11)7(14)5-6(13)8-3-2-4-17-8/h2-4,6,13H,5H2,1H3
InChIKeyVDJJTHAOEDOXNN-UHFFFAOYSA-N
XLogP0.58
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate 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

(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
4-diazo-5-methoxy-3,5-dioxopentanoic acid
CID 137256579
2-bromo-1-thiophen-2-ylethanol
CID 22324999
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
methyl 3-cyano-2-oxo-3-thiophen-2-ylpropanoate
CID 16740606
methyl 2-thiophen-2-ylpropanoate
CID 12819459
dimethyl (2R)-3-diazo-2-hydroxy-2-thiophen-2-ylbutanedioate
CID 164683814
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate?
The IUPAC name of methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate (CID 137128714) is methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate.
What is the SMILES notation for methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate?
The canonical SMILES for methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate is COC(=O)C(=[N+]=[N-])C(=O)CC(O)c1cccs1.
What is the InChIKey of methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate?
The InChIKey is VDJJTHAOEDOXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-16-10(15)9(12-11)7(14)5-6(13)8-3-2-4-17-8/h2-4,6,13H,5H2,1H3.
What are the key properties of methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate?
methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate has a molecular weight of 254.27 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-5-hydroxy-3-oxo-5-thiophen-2-ylpentanoate is sourced from PubChem (CID 137128714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).