dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium

C7H16N2O3P+ — CID 134442401

IUPACdimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CNCCO1
InChIInChI=1S/C7H16N2O3P/c1-9(2)13(10)12-6-7-5-8-3-4-11-7/h7-8H,3-6H2,1-2H3/q+1/t7-/m0/s1
InChIKeyNQGJQMQZBISMDG-ZETCQYMHSA-N
MW207.19 g/mol
LogP0.21
Rot. Bonds4

About dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium

dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium (PubChem CID 134442401) has the molecular formula C7H16N2O3P+ and a molecular weight of 207.19 g/mol. Its IUPAC name is dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namedimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium
PubChem CID134442401
Molecular FormulaC7H16N2O3P+
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Namedimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium
SMILESCN(C)[P+](=O)OC[C@@H]1CNCCO1
InChIInChI=1S/C7H16N2O3P/c1-9(2)13(10)12-6-7-5-8-3-4-11-7/h7-8H,3-6H2,1-2H3/q+1/t7-/m0/s1
InChIKeyNQGJQMQZBISMDG-ZETCQYMHSA-N
XLogP0.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium?
The IUPAC name of dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium (CID 134442401) is dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium is CN(C)[P+](=O)OC[C@@H]1CNCCO1.
What is the InChIKey of dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium?
The InChIKey is NQGJQMQZBISMDG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O3P/c1-9(2)13(10)12-6-7-5-8-3-4-11-7/h7-8H,3-6H2,1-2H3/q+1/t7-/m0/s1.
What are the key properties of dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium?
dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium has a molecular weight of 207.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[[(2S)-morpholin-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 134442401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).