sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid

C14H27N2NaO7SSi — CID 173396230

IUPACsodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid
SMILESCC[Si](CC)(CC)CCC(=O)NC1C(=O)N(S(=O)(=O)O)C1C(=O)OC.[H-].[Na+]
InChIInChI=1S/C14H26N2O7SSi.Na.H/c1-5-25(6-2,7-3)9-8-10(17)15-11-12(14(19)23-4)16(13(11)18)24(20,21)22;;/h11-12H,5-9H2,1-4H3,(H,15,17)(H,20,21,22);;/q;+1;-1
InChIKeyDMEBVLKWBKXPGT-UHFFFAOYSA-N
MW418.52 g/mol
LogP-2.33
Rot. Bonds9

About sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid

sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid (PubChem CID 173396230) has the molecular formula C14H27N2NaO7SSi and a molecular weight of 418.52 g/mol. Its IUPAC name is sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid
PubChem CID173396230
Molecular FormulaC14H27N2NaO7SSi
Molecular Weight418.52 g/mol
Exact Mass418.12
IUPAC Namesodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid
SMILESCC[Si](CC)(CC)CCC(=O)NC1C(=O)N(S(=O)(=O)O)C1C(=O)OC.[H-].[Na+]
InChIInChI=1S/C14H26N2O7SSi.Na.H/c1-5-25(6-2,7-3)9-8-10(17)15-11-12(14(19)23-4)16(13(11)18)24(20,21)22;;/h11-12H,5-9H2,1-4H3,(H,15,17)(H,20,21,22);;/q;+1;-1
InChIKeyDMEBVLKWBKXPGT-UHFFFAOYSA-N
XLogP-2.33
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 5-2.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic 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 sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid?
The IUPAC name of sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid (CID 173396230) is sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid?
The canonical SMILES for sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid is CC[Si](CC)(CC)CCC(=O)NC1C(=O)N(S(=O)(=O)O)C1C(=O)OC.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid?
The InChIKey is DMEBVLKWBKXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O7SSi.Na.H/c1-5-25(6-2,7-3)9-8-10(17)15-11-12(14(19)23-4)16(13(11)18)24(20,21)22;;/h11-12H,5-9H2,1-4H3,(H,15,17)(H,20,21,22);;/q;+1;-1.
What are the key properties of sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid?
sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid has a molecular weight of 418.52 g/mol, XLogP of -2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methoxycarbonyl-4-oxo-3-(3-triethylsilylpropanoylamino)azetidine-1-sulfonic acid is sourced from PubChem (CID 173396230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).