ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate

C13H24N2O4 — CID 82322156

IUPACethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NCCN1CCOCC1)C(C)=O
InChIInChI=1S/C13H24N2O4/c1-3-19-13(17)10-12(11(2)16)14-4-5-15-6-8-18-9-7-15/h12,14H,3-10H2,1-2H3
InChIKeyHPUPXGBJJDWMLJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.18
Rot. Bonds8

About ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate

ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate (PubChem CID 82322156) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
PubChem CID82322156
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NCCN1CCOCC1)C(C)=O
InChIInChI=1S/C13H24N2O4/c1-3-19-13(17)10-12(11(2)16)14-4-5-15-6-8-18-9-7-15/h12,14H,3-10H2,1-2H3
InChIKeyHPUPXGBJJDWMLJ-UHFFFAOYSA-N
XLogP-0.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate?
The IUPAC name of ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate (CID 82322156) is ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate.
What is the SMILES notation for ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate?
The canonical SMILES for ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate is CCOC(=O)CC(NCCN1CCOCC1)C(C)=O.
What is the InChIKey of ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate?
The InChIKey is HPUPXGBJJDWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-19-13(17)10-12(11(2)16)14-4-5-15-6-8-18-9-7-15/h12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate?
ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate has a molecular weight of 272.34 g/mol, XLogP of -0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate is sourced from PubChem (CID 82322156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).