(2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one

C13H18N2O3 — CID 28908719

IUPAC(2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1cccc(N)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3/t10-/m0/s1
InChIKeyKAMGXDMUOVITKV-JTQLQIEISA-N
MW250.30 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one

(2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 28908719) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID28908719
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1cccc(N)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3/t10-/m0/s1
InChIKeyKAMGXDMUOVITKV-JTQLQIEISA-N
XLogP0.89
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one (CID 28908719) is (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one is C[C@H](Oc1cccc(N)c1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is KAMGXDMUOVITKV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,14H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one?
(2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 250.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 28908719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).