2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one

C9H18N2O3 — CID 62473881

IUPAC2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one
SMILESCOCCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-13-5-2-8(10)9(12)11-3-6-14-7-4-11/h8H,2-7,10H2,1H3
InChIKeyIKQJHEXVOVHZMP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.79
Rot. Bonds4

About 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one

2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one (PubChem CID 62473881) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one
PubChem CID62473881
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one
SMILESCOCCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-13-5-2-8(10)9(12)11-3-6-14-7-4-11/h8H,2-7,10H2,1H3
InChIKeyIKQJHEXVOVHZMP-UHFFFAOYSA-N
XLogP-0.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one (CID 62473881) is 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one is COCCC(N)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one?
The InChIKey is IKQJHEXVOVHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-13-5-2-8(10)9(12)11-3-6-14-7-4-11/h8H,2-7,10H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one?
2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one has a molecular weight of 202.25 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 62473881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).