ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate

C10H18N2O4 — CID 5152769

IUPACethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-2-16-10(14)9(13)11-3-4-12-5-7-15-8-6-12/h2-8H2,1H3,(H,11,13)
InChIKeyUDRHIBCFNZWDRK-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.00
Rot. Bonds4

About ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate

ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate (PubChem CID 5152769) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate
PubChem CID5152769
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-2-16-10(14)9(13)11-3-4-12-5-7-15-8-6-12/h2-8H2,1H3,(H,11,13)
InChIKeyUDRHIBCFNZWDRK-UHFFFAOYSA-N
XLogP-1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate (CID 5152769) is ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate is CCOC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate?
The InChIKey is UDRHIBCFNZWDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-16-10(14)9(13)11-3-4-12-5-7-15-8-6-12/h2-8H2,1H3,(H,11,13).
What are the key properties of ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate?
ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate has a molecular weight of 230.26 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-morpholin-4-ylethylamino)-2-oxoacetate is sourced from PubChem (CID 5152769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).