ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid

C14H19N6O10PS — CID 18637585

IUPACethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cn1nnnc1SCC(=O)N[C@H]1CON(OC(=O)C2CCC(=O)O2)C1=O
InChIInChI=1S/C14H19N6O10PS/c1-2-28-31(25,26)7-19-14(16-17-18-19)32-6-10(21)15-8-5-27-20(12(8)23)30-13(24)9-3-4-11(22)29-9/h8-9H,2-7H2,1H3,(H,15,21)(H,25,26)/t8-,9?/m0/s1
InChIKeyCGWGBPZZMQJFEJ-IENPIDJESA-N
MW494.38 g/mol
LogP-1.63
Rot. Bonds10

About ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid

ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid (PubChem CID 18637585) has the molecular formula C14H19N6O10PS and a molecular weight of 494.38 g/mol. Its IUPAC name is ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid
PubChem CID18637585
Molecular FormulaC14H19N6O10PS
Molecular Weight494.38 g/mol
Exact Mass494.06
IUPAC Nameethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid
SMILESCCOP(=O)(O)Cn1nnnc1SCC(=O)N[C@H]1CON(OC(=O)C2CCC(=O)O2)C1=O
InChIInChI=1S/C14H19N6O10PS/c1-2-28-31(25,26)7-19-14(16-17-18-19)32-6-10(21)15-8-5-27-20(12(8)23)30-13(24)9-3-4-11(22)29-9/h8-9H,2-7H2,1H3,(H,15,21)(H,25,26)/t8-,9?/m0/s1
InChIKeyCGWGBPZZMQJFEJ-IENPIDJESA-N
XLogP-1.63
TPSA201.37 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.38
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid 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

(6R,7R)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-[[ethoxy(hydroxy)phosphoryl]methyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 88780760
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18140839
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
2-(1-propyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 655852
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52973004
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 78812704
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633186
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 62825409

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid (CID 18637585) is ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid is CCOP(=O)(O)Cn1nnnc1SCC(=O)N[C@H]1CON(OC(=O)C2CCC(=O)O2)C1=O.
What is the InChIKey of ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid?
The InChIKey is CGWGBPZZMQJFEJ-IENPIDJESA-N. The full InChI is InChI=1S/C14H19N6O10PS/c1-2-28-31(25,26)7-19-14(16-17-18-19)32-6-10(21)15-8-5-27-20(12(8)23)30-13(24)9-3-4-11(22)29-9/h8-9H,2-7H2,1H3,(H,15,21)(H,25,26)/t8-,9?/m0/s1.
What are the key properties of ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid?
ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid has a molecular weight of 494.38 g/mol, XLogP of -1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[5-[2-oxo-2-[[(4S)-3-oxo-2-(5-oxooxolane-2-carbonyl)oxy-1,2-oxazolidin-4-yl]amino]ethyl]sulfanyltetrazol-1-yl]methyl]phosphinic acid is sourced from PubChem (CID 18637585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).