5-(2-aminoethyl)morpholin-3-one

C6H12N2O2 — CID 115060538

IUPAC5-(2-aminoethyl)morpholin-3-one
SMILESNCCC1COCC(=O)N1
InChIInChI=1S/C6H12N2O2/c7-2-1-5-3-10-4-6(9)8-5/h5H,1-4,7H2,(H,8,9)
InChIKeyGUSFBSJLAUXECO-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.15
Rot. Bonds2

About 5-(2-aminoethyl)morpholin-3-one

5-(2-aminoethyl)morpholin-3-one (PubChem CID 115060538) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-(2-aminoethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(2-aminoethyl)morpholin-3-one
PubChem CID115060538
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name5-(2-aminoethyl)morpholin-3-one
SMILESNCCC1COCC(=O)N1
InChIInChI=1S/C6H12N2O2/c7-2-1-5-3-10-4-6(9)8-5/h5H,1-4,7H2,(H,8,9)
InChIKeyGUSFBSJLAUXECO-UHFFFAOYSA-N
XLogP-1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)morpholin-3-one?
The IUPAC name of 5-(2-aminoethyl)morpholin-3-one (CID 115060538) is 5-(2-aminoethyl)morpholin-3-one.
What is the SMILES notation for 5-(2-aminoethyl)morpholin-3-one?
The canonical SMILES for 5-(2-aminoethyl)morpholin-3-one is NCCC1COCC(=O)N1.
What is the InChIKey of 5-(2-aminoethyl)morpholin-3-one?
The InChIKey is GUSFBSJLAUXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-2-1-5-3-10-4-6(9)8-5/h5H,1-4,7H2,(H,8,9).
What are the key properties of 5-(2-aminoethyl)morpholin-3-one?
5-(2-aminoethyl)morpholin-3-one has a molecular weight of 144.17 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)morpholin-3-one is sourced from PubChem (CID 115060538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).