ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate

C14H27NO4 — CID 13216309

IUPACethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCC(=O)OCC)CC(C)C
InChIInChI=1S/C14H27NO4/c1-5-18-13(16)7-9-15(11-12(3)4)10-8-14(17)19-6-2/h12H,5-11H2,1-4H3
InChIKeyHDINWDRVOQCQDZ-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.85
Rot. Bonds10

About ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate

ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate (PubChem CID 13216309) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate
PubChem CID13216309
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCC(=O)OCC)CC(C)C
InChIInChI=1S/C14H27NO4/c1-5-18-13(16)7-9-15(11-12(3)4)10-8-14(17)19-6-2/h12H,5-11H2,1-4H3
InChIKeyHDINWDRVOQCQDZ-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate (CID 13216309) is ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate is CCOC(=O)CCN(CCC(=O)OCC)CC(C)C.
What is the InChIKey of ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is HDINWDRVOQCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-18-13(16)7-9-15(11-12(3)4)10-8-14(17)19-6-2/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate?
ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 273.37 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-ethoxy-3-oxopropyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 13216309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).