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

C11H20N2O4 — CID 58638605

IUPACethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NCCN1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-17-11(15)9-10(14)12-3-4-13-5-7-16-8-6-13/h2-9H2,1H3,(H,12,14)
InChIKeyRNRJPKCFMAPEII-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.61
Rot. Bonds6

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

ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate (PubChem CID 58638605) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate
PubChem CID58638605
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NCCN1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-2-17-11(15)9-10(14)12-3-4-13-5-7-16-8-6-13/h2-9H2,1H3,(H,12,14)
InChIKeyRNRJPKCFMAPEII-UHFFFAOYSA-N
XLogP-0.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate?
The IUPAC name of ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate (CID 58638605) is ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate.
What is the SMILES notation for ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate?
The canonical SMILES for ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate is CCOC(=O)CC(=O)NCCN1CCOCC1.
What is the InChIKey of ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate?
The InChIKey is RNRJPKCFMAPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-17-11(15)9-10(14)12-3-4-13-5-7-16-8-6-13/h2-9H2,1H3,(H,12,14).
What are the key properties of ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate?
ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate has a molecular weight of 244.29 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-morpholin-4-ylethylamino)-3-oxopropanoate is sourced from PubChem (CID 58638605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).