methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate

C16H20N2O4 — CID 10902788

IUPACmethyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1OCCN(/N=C/CCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O4/c1-21-15(19)12-14-16(20)18(10-11-22-14)17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,14H,5,8,10-12H2,1H3/b17-9+/t14-/m0/s1
InChIKeyIUDRFGRHJBZXGT-VEJKBTLKSA-N
MW304.35 g/mol
LogP1.40
Rot. Bonds6

About methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate

methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate (PubChem CID 10902788) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate
PubChem CID10902788
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1OCCN(/N=C/CCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O4/c1-21-15(19)12-14-16(20)18(10-11-22-14)17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,14H,5,8,10-12H2,1H3/b17-9+/t14-/m0/s1
InChIKeyIUDRFGRHJBZXGT-VEJKBTLKSA-N
XLogP1.40
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate 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 methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate (CID 10902788) is methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate is COC(=O)C[C@@H]1OCCN(/N=C/CCc2ccccc2)C1=O.
What is the InChIKey of methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate?
The InChIKey is IUDRFGRHJBZXGT-VEJKBTLKSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-21-15(19)12-14-16(20)18(10-11-22-14)17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,9,14H,5,8,10-12H2,1H3/b17-9+/t14-/m0/s1.
What are the key properties of methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate?
methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate has a molecular weight of 304.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-3-oxo-4-[(E)-3-phenylpropylideneamino]morpholin-2-yl]acetate is sourced from PubChem (CID 10902788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).