methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid

C14H25N2O5P — CID 156749346

IUPACmethoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid
SMILESCOP(=O)(O)C1CCC(N2CC3(CCNCC3)OC2=O)CC1
InChIInChI=1S/C14H25N2O5P/c1-20-22(18,19)12-4-2-11(3-5-12)16-10-14(21-13(16)17)6-8-15-9-7-14/h11-12,15H,2-10H2,1H3,(H,18,19)
InChIKeyFGQRAOVXBDDBQE-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.70
Rot. Bonds3

About methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid

methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid (PubChem CID 156749346) has the molecular formula C14H25N2O5P and a molecular weight of 332.34 g/mol. Its IUPAC name is methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid
PubChem CID156749346
Molecular FormulaC14H25N2O5P
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC Namemethoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid
SMILESCOP(=O)(O)C1CCC(N2CC3(CCNCC3)OC2=O)CC1
InChIInChI=1S/C14H25N2O5P/c1-20-22(18,19)12-4-2-11(3-5-12)16-10-14(21-13(16)17)6-8-15-9-7-14/h11-12,15H,2-10H2,1H3,(H,18,19)
InChIKeyFGQRAOVXBDDBQE-UHFFFAOYSA-N
XLogP1.70
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid?
The IUPAC name of methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid (CID 156749346) is methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid.
What is the SMILES notation for methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid?
The canonical SMILES for methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid is COP(=O)(O)C1CCC(N2CC3(CCNCC3)OC2=O)CC1.
What is the InChIKey of methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid?
The InChIKey is FGQRAOVXBDDBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O5P/c1-20-22(18,19)12-4-2-11(3-5-12)16-10-14(21-13(16)17)6-8-15-9-7-14/h11-12,15H,2-10H2,1H3,(H,18,19).
What are the key properties of methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid?
methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid has a molecular weight of 332.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)cyclohexyl]phosphinic acid is sourced from PubChem (CID 156749346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).