aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid

C14H30NO5P — CID 54321147

IUPACaminooxy(tridecan-7-yloxycarbonyl)phosphinic acid
SMILESCCCCCCC(CCCCCC)OC(=O)P(=O)(O)ON
InChIInChI=1S/C14H30NO5P/c1-3-5-7-9-11-13(12-10-8-6-4-2)19-14(16)21(17,18)20-15/h13H,3-12,15H2,1-2H3,(H,17,18)
InChIKeySRTIXPIFPUBNRB-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.51
Rot. Bonds13

About aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid

aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid (PubChem CID 54321147) has the molecular formula C14H30NO5P and a molecular weight of 323.37 g/mol. Its IUPAC name is aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid.

Molecular Properties

Compound Nameaminooxy(tridecan-7-yloxycarbonyl)phosphinic acid
PubChem CID54321147
Molecular FormulaC14H30NO5P
Molecular Weight323.37 g/mol
Exact Mass323.19
IUPAC Nameaminooxy(tridecan-7-yloxycarbonyl)phosphinic acid
SMILESCCCCCCC(CCCCCC)OC(=O)P(=O)(O)ON
InChIInChI=1S/C14H30NO5P/c1-3-5-7-9-11-13(12-10-8-6-4-2)19-14(16)21(17,18)20-15/h13H,3-12,15H2,1-2H3,(H,17,18)
InChIKeySRTIXPIFPUBNRB-UHFFFAOYSA-N
XLogP4.51
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze aminooxy(tridecan-7-yloxycarbonyl)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

hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
tricosan-7-yl hydrogen carbonate
CID 87300503
pentadecan-8-yl (2R)-2-aminopropanoate
CID 174065713
icosan-9-yl 2-aminopropanoate
CID 18625140
pentadecan-6-yl dihydrogen phosphate
CID 22719349
octadecan-7-yl propanoate
CID 87732278
tetradecan-6-yl propanoate
CID 15483723
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
icosan-8-yl dodecanoate
CID 175390267

Frequently Asked Questions

What is the IUPAC name of aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid?
The IUPAC name of aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid (CID 54321147) is aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid.
What is the SMILES notation for aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid?
The canonical SMILES for aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid is CCCCCCC(CCCCCC)OC(=O)P(=O)(O)ON.
What is the InChIKey of aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid?
The InChIKey is SRTIXPIFPUBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO5P/c1-3-5-7-9-11-13(12-10-8-6-4-2)19-14(16)21(17,18)20-15/h13H,3-12,15H2,1-2H3,(H,17,18).
What are the key properties of aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid?
aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid has a molecular weight of 323.37 g/mol, XLogP of 4.51, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy(tridecan-7-yloxycarbonyl)phosphinic acid is sourced from PubChem (CID 54321147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).