methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate

C14H16N2O4 — CID 10967766

IUPACmethyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1OCCN(/N=C/c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-19-13(17)9-12-14(18)16(7-8-20-12)15-10-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/b15-10+/t12-/m0/s1
InChIKeyBDLCFMBYGZNIPQ-XBUHWIKASA-N
MW276.29 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate

methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate (PubChem CID 10967766) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate
PubChem CID10967766
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1OCCN(/N=C/c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-19-13(17)9-12-14(18)16(7-8-20-12)15-10-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/b15-10+/t12-/m0/s1
InChIKeyBDLCFMBYGZNIPQ-XBUHWIKASA-N
XLogP0.81
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate (CID 10967766) is methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate is COC(=O)C[C@@H]1OCCN(/N=C/c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate?
The InChIKey is BDLCFMBYGZNIPQ-XBUHWIKASA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-13(17)9-12-14(18)16(7-8-20-12)15-10-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/b15-10+/t12-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate?
methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate has a molecular weight of 276.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-[(E)-benzylideneamino]-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 10967766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).