(2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one

C18H19NO3 — CID 58997976

IUPAC(2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one
SMILESO=C1[C@H]([C@H](O)c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17+/m1/s1
InChIKeyIIBSPZWJLYZHQR-SJORKVTESA-N
MW297.35 g/mol
LogP2.15
Rot. Bonds4

About (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one

(2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one (PubChem CID 58997976) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name(2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one
PubChem CID58997976
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one
SMILESO=C1[C@H]([C@H](O)c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C18H19NO3/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17+/m1/s1
InChIKeyIIBSPZWJLYZHQR-SJORKVTESA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one?
The IUPAC name of (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one (CID 58997976) is (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one.
What is the SMILES notation for (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one?
The canonical SMILES for (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one is O=C1[C@H]([C@H](O)c2ccccc2)OCCN1Cc1ccccc1.
What is the InChIKey of (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one?
The InChIKey is IIBSPZWJLYZHQR-SJORKVTESA-N. The full InChI is InChI=1S/C18H19NO3/c20-16(15-9-5-2-6-10-15)17-18(21)19(11-12-22-17)13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2/t16-,17+/m1/s1.
What are the key properties of (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one?
(2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one has a molecular weight of 297.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-[(R)-hydroxy(phenyl)methyl]morpholin-3-one is sourced from PubChem (CID 58997976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).