ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate

C11H24NO4P — CID 23268247

IUPACethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate
SMILESCCOC(=O)CP(=NC)(OC(C)C)OC(C)C
InChIInChI=1S/C11H24NO4P/c1-7-14-11(13)8-17(12-6,15-9(2)3)16-10(4)5/h9-10H,7-8H2,1-6H3
InChIKeyYWGUCPRTTAFMAM-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.06
Rot. Bonds7

About ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate

ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate (PubChem CID 23268247) has the molecular formula C11H24NO4P and a molecular weight of 265.29 g/mol. Its IUPAC name is ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate
PubChem CID23268247
Molecular FormulaC11H24NO4P
Molecular Weight265.29 g/mol
Exact Mass265.14
IUPAC Nameethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate
SMILESCCOC(=O)CP(=NC)(OC(C)C)OC(C)C
InChIInChI=1S/C11H24NO4P/c1-7-14-11(13)8-17(12-6,15-9(2)3)16-10(4)5/h9-10H,7-8H2,1-6H3
InChIKeyYWGUCPRTTAFMAM-UHFFFAOYSA-N
XLogP3.06
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
ethyl 2-diethylphosphorylacetate
CID 564639
ethyl 2-propan-2-yloxyacetate
CID 537908
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
CID 58445974
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
CID 161235723
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethyl 2-[dimethyl(propan-2-yl)silyl]acetate
CID 102437234
ethyl 4,5-dimethylnonanoate
CID 91431397
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl 2-ethoxy-2-methyliminoacetate
CID 163878750
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate?
The IUPAC name of ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate (CID 23268247) is ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate.
What is the SMILES notation for ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate?
The canonical SMILES for ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate is CCOC(=O)CP(=NC)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate?
The InChIKey is YWGUCPRTTAFMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4P/c1-7-14-11(13)8-17(12-6,15-9(2)3)16-10(4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate?
ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate has a molecular weight of 265.29 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methylimino-di(propan-2-yloxy)-λ5-phosphanyl]acetate is sourced from PubChem (CID 23268247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).