methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate

C12H23NO5P- — CID 59342631

IUPACmethyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate
SMILESCC(=O)CCC(=O)NCCCCCCOP(C)(=O)[O-]
InChIInChI=1S/C12H24NO5P/c1-11(14)7-8-12(15)13-9-5-3-4-6-10-18-19(2,16)17/h3-10H2,1-2H3,(H,13,15)(H,16,17)/p-1
InChIKeyHIYJVXYPJCCVBF-UHFFFAOYSA-M
MW292.29 g/mol
LogP1.23
Rot. Bonds11

About methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate

methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate (PubChem CID 59342631) has the molecular formula C12H23NO5P- and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate.

Molecular Properties

Compound Namemethyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate
PubChem CID59342631
Molecular FormulaC12H23NO5P-
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Namemethyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate
SMILESCC(=O)CCC(=O)NCCCCCCOP(C)(=O)[O-]
InChIInChI=1S/C12H24NO5P/c1-11(14)7-8-12(15)13-9-5-3-4-6-10-18-19(2,16)17/h3-10H2,1-2H3,(H,13,15)(H,16,17)/p-1
InChIKeyHIYJVXYPJCCVBF-UHFFFAOYSA-M
XLogP1.23
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate?
The IUPAC name of methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate (CID 59342631) is methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate.
What is the SMILES notation for methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate?
The canonical SMILES for methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate is CC(=O)CCC(=O)NCCCCCCOP(C)(=O)[O-].
What is the InChIKey of methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate?
The InChIKey is HIYJVXYPJCCVBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24NO5P/c1-11(14)7-8-12(15)13-9-5-3-4-6-10-18-19(2,16)17/h3-10H2,1-2H3,(H,13,15)(H,16,17)/p-1.
What are the key properties of methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate?
methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate has a molecular weight of 292.29 g/mol, XLogP of 1.23, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-(4-oxopentanoylamino)hexoxy]phosphinate is sourced from PubChem (CID 59342631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).