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

C7H17N2O2P — CID 58445976

IUPACethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate
SMILESCCOC(=O)CNP(C)(C)=NC
InChIInChI=1S/C7H17N2O2P/c1-5-11-7(10)6-9-12(3,4)8-2/h9H,5-6H2,1-4H3
InChIKeySQDBHELZSWGBAM-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.14
Rot. Bonds4

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

ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate (PubChem CID 58445976) has the molecular formula C7H17N2O2P and a molecular weight of 192.20 g/mol. Its IUPAC name is ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate
PubChem CID58445976
Molecular FormulaC7H17N2O2P
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Nameethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate
SMILESCCOC(=O)CNP(C)(C)=NC
InChIInChI=1S/C7H17N2O2P/c1-5-11-7(10)6-9-12(3,4)8-2/h9H,5-6H2,1-4H3
InChIKeySQDBHELZSWGBAM-UHFFFAOYSA-N
XLogP1.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.14
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]acetate?
The IUPAC name of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate (CID 58445976) is ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate?
The canonical SMILES for ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate is CCOC(=O)CNP(C)(C)=NC.
What is the InChIKey of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate?
The InChIKey is SQDBHELZSWGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O2P/c1-5-11-7(10)6-9-12(3,4)8-2/h9H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate?
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]acetate has a molecular weight of 192.20 g/mol, XLogP of 1.14, 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]acetate is sourced from PubChem (CID 58445976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).