benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate

C18H17NO4 — CID 10064027

IUPACbenzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H17NO4/c20-17-11-19(16(13-22-17)15-9-5-2-6-10-15)18(21)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m1/s1
InChIKeyXIQFZWUXPOOQCF-MRXNPFEDSA-N
MW311.34 g/mol
LogP2.92
Rot. Bonds3

About benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate

benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate (PubChem CID 10064027) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
PubChem CID10064027
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namebenzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H17NO4/c20-17-11-19(16(13-22-17)15-9-5-2-6-10-15)18(21)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m1/s1
InChIKeyXIQFZWUXPOOQCF-MRXNPFEDSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
The IUPAC name of benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate (CID 10064027) is benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
The canonical SMILES for benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate is O=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)CO1.
What is the InChIKey of benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
The InChIKey is XIQFZWUXPOOQCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17-11-19(16(13-22-17)15-9-5-2-6-10-15)18(21)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m1/s1.
What are the key properties of benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate?
benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate is sourced from PubChem (CID 10064027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).