hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate

C7H17N2O4P — CID 10176883

IUPAChydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate
SMILESC[N+](C)(C)CCCNC(=O)P(=O)([O-])O
InChIInChI=1S/C7H17N2O4P/c1-9(2,3)6-4-5-8-7(10)14(11,12)13/h4-6H2,1-3H3,(H2-,8,10,11,12,13)
InChIKeyUXFZZZAFENASIB-UHFFFAOYSA-N
MW224.20 g/mol
LogP-0.66
Rot. Bonds5

About hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate

hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate (PubChem CID 10176883) has the molecular formula C7H17N2O4P and a molecular weight of 224.20 g/mol. Its IUPAC name is hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate
PubChem CID10176883
Molecular FormulaC7H17N2O4P
Molecular Weight224.20 g/mol
Exact Mass224.09
IUPAC Namehydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate
SMILESC[N+](C)(C)CCCNC(=O)P(=O)([O-])O
InChIInChI=1S/C7H17N2O4P/c1-9(2,3)6-4-5-8-7(10)14(11,12)13/h4-6H2,1-3H3,(H2-,8,10,11,12,13)
InChIKeyUXFZZZAFENASIB-UHFFFAOYSA-N
XLogP-0.66
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
4-(phosphonocarbonylamino)butylcarbamoylphosphonic acid
CID 71462495
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
butyl(trimethyl)azanium;phosphoric acid
CID 175165471
tetrakis(2-hydroxyethyl(trimethyl)azanium);chloride;phosphate
CID 57350182
hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
CID 4242130
3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
CID 17387279
dimethyl phosphate;3-(11-dodecylsulfanylundecanoylamino)propyl-trimethylazanium
CID 139603274
3-[3-[2-[bis[3-oxo-3-[3-(trimethylazaniumyl)propylamino]propyl]amino]ethyl-[3-oxo-3-[3-(trimethylazaniumyl)propylamino]propyl]amino]propanoylamino]propyl-trimethylazanium tetrachloride
CID 160659042
trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium
CID 87523396

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate?
The IUPAC name of hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate (CID 10176883) is hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate.
What is the SMILES notation for hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate?
The canonical SMILES for hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate is C[N+](C)(C)CCCNC(=O)P(=O)([O-])O.
What is the InChIKey of hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate?
The InChIKey is UXFZZZAFENASIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O4P/c1-9(2,3)6-4-5-8-7(10)14(11,12)13/h4-6H2,1-3H3,(H2-,8,10,11,12,13).
What are the key properties of hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate?
hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate has a molecular weight of 224.20 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate is sourced from PubChem (CID 10176883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).