ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate

C8H19N2O2P — CID 58445974

IUPACethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
SMILESCCOC(=O)C(C)NP(C)(C)=NC
InChIInChI=1S/C8H19N2O2P/c1-6-12-8(11)7(2)10-13(4,5)9-3/h7,10H,6H2,1-5H3
InChIKeyGDNMPJMPDFWUMT-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate

ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate (PubChem CID 58445974) has the molecular formula C8H19N2O2P and a molecular weight of 206.23 g/mol. Its IUPAC name is ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
PubChem CID58445974
Molecular FormulaC8H19N2O2P
Molecular Weight206.23 g/mol
Exact Mass206.12
IUPAC Nameethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
SMILESCCOC(=O)C(C)NP(C)(C)=NC
InChIInChI=1S/C8H19N2O2P/c1-6-12-8(11)7(2)10-13(4,5)9-3/h7,10H,6H2,1-5H3
InChIKeyGDNMPJMPDFWUMT-UHFFFAOYSA-N
XLogP1.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate?
The IUPAC name of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate (CID 58445974) is ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate is CCOC(=O)C(C)NP(C)(C)=NC.
What is the InChIKey of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate?
The InChIKey is GDNMPJMPDFWUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O2P/c1-6-12-8(11)7(2)10-13(4,5)9-3/h7,10H,6H2,1-5H3.
What are the key properties of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate?
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate has a molecular weight of 206.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate is sourced from PubChem (CID 58445974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).