ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate

C9H20NO4P — CID 59020287

IUPACethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate
SMILESCCCOP(C)(=O)NCCC(=O)OCC
InChIInChI=1S/C9H20NO4P/c1-4-8-14-15(3,12)10-7-6-9(11)13-5-2/h4-8H2,1-3H3,(H,10,12)
InChIKeyOGRUIOMCJMHGEW-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.78
Rot. Bonds8

About ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate

ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate (PubChem CID 59020287) has the molecular formula C9H20NO4P and a molecular weight of 237.24 g/mol. Its IUPAC name is ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate
PubChem CID59020287
Molecular FormulaC9H20NO4P
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Nameethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate
SMILESCCCOP(C)(=O)NCCC(=O)OCC
InChIInChI=1S/C9H20NO4P/c1-4-8-14-15(3,12)10-7-6-9(11)13-5-2/h4-8H2,1-3H3,(H,10,12)
InChIKeyOGRUIOMCJMHGEW-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-propylpentanoylamino)propanoate
CID 23363631
ethyl 4-(diaminophosphorylamino)butanoate
CID 88722731
ethyl (1,2-13C2)butanoate
CID 157463359
butane;diethyl propanedioate
CID 87110467
ethyl butanoate
CID 7762
ethyl 3-(methylamino)propanoate;methane
CID 159702101
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
ethyl 5-diethoxyphosphoryl-6-oxoheptanoate
CID 10852295
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
propyl 3-dimethylphosphorylpropanoate
CID 175015026
ethyl 3-[ethoxy(propyl)phosphoryl]propanoate
CID 14963465

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate?
The IUPAC name of ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate (CID 59020287) is ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate?
The canonical SMILES for ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate is CCCOP(C)(=O)NCCC(=O)OCC.
What is the InChIKey of ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate?
The InChIKey is OGRUIOMCJMHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO4P/c1-4-8-14-15(3,12)10-7-6-9(11)13-5-2/h4-8H2,1-3H3,(H,10,12).
What are the key properties of ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate?
ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate has a molecular weight of 237.24 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 59020287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).