ethyl 2-(2-diethoxyphosphorylethylamino)acetate

C10H22NO5P — CID 112742494

IUPACethyl 2-(2-diethoxyphosphorylethylamino)acetate
SMILESCCOC(=O)CNCCP(=O)(OCC)OCC
InChIInChI=1S/C10H22NO5P/c1-4-14-10(12)9-11-7-8-17(13,15-5-2)16-6-3/h11H,4-9H2,1-3H3
InChIKeyLROCJQSBGWQWFZ-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.41
Rot. Bonds10

About ethyl 2-(2-diethoxyphosphorylethylamino)acetate

ethyl 2-(2-diethoxyphosphorylethylamino)acetate (PubChem CID 112742494) has the molecular formula C10H22NO5P and a molecular weight of 267.26 g/mol. Its IUPAC name is ethyl 2-(2-diethoxyphosphorylethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-diethoxyphosphorylethylamino)acetate
PubChem CID112742494
Molecular FormulaC10H22NO5P
Molecular Weight267.26 g/mol
Exact Mass267.12
IUPAC Nameethyl 2-(2-diethoxyphosphorylethylamino)acetate
SMILESCCOC(=O)CNCCP(=O)(OCC)OCC
InChIInChI=1S/C10H22NO5P/c1-4-14-10(12)9-11-7-8-17(13,15-5-2)16-6-3/h11H,4-9H2,1-3H3
InChIKeyLROCJQSBGWQWFZ-UHFFFAOYSA-N
XLogP1.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-chloroethylamino)acetate
CID 55302202
ethyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 74889816
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
ethyl 2-diethoxyphosphorylacetate
CID 10911236
4-(2-diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
ethyl 3-(3-diethoxyphosphorylpropanoyloxy)propanoate
CID 131843980
ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399434
ethyl 2-(2-carbamoyloxyethylamino)acetate
CID 83209785
CID 172849658
CID 172849658
ethane;ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399433
ethyl 2-[bis(methylsulfanyl)phosphorylmethylamino]acetate
CID 54066943
6-(2-diethoxyphosphorylethylamino)hexan-1-ol
CID 175947298

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-diethoxyphosphorylethylamino)acetate?
The IUPAC name of ethyl 2-(2-diethoxyphosphorylethylamino)acetate (CID 112742494) is ethyl 2-(2-diethoxyphosphorylethylamino)acetate.
What is the SMILES notation for ethyl 2-(2-diethoxyphosphorylethylamino)acetate?
The canonical SMILES for ethyl 2-(2-diethoxyphosphorylethylamino)acetate is CCOC(=O)CNCCP(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-(2-diethoxyphosphorylethylamino)acetate?
The InChIKey is LROCJQSBGWQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO5P/c1-4-14-10(12)9-11-7-8-17(13,15-5-2)16-6-3/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(2-diethoxyphosphorylethylamino)acetate?
ethyl 2-(2-diethoxyphosphorylethylamino)acetate has a molecular weight of 267.26 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-diethoxyphosphorylethylamino)acetate is sourced from PubChem (CID 112742494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).