(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone

C15H21NO3 — CID 118541592

IUPAC(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCO[C@H](C)[C@@H]1C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11-12(2)19-10-9-16(11)15(17)14(18-3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12+,14+/m0/s1
InChIKeyOGSWDEKIMPDNTE-OUCADQQQSA-N
MW263.34 g/mol
LogP2.01
Rot. Bonds3

About (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone

(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone (PubChem CID 118541592) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
PubChem CID118541592
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
SMILESCO[C@@H](C(=O)N1CCO[C@H](C)[C@@H]1C)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-11-12(2)19-10-9-16(11)15(17)14(18-3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12+,14+/m0/s1
InChIKeyOGSWDEKIMPDNTE-OUCADQQQSA-N
XLogP2.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone (CID 118541592) is (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone is CO[C@@H](C(=O)N1CCO[C@H](C)[C@@H]1C)c1ccccc1.
What is the InChIKey of (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone?
The InChIKey is OGSWDEKIMPDNTE-OUCADQQQSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-12(2)19-10-9-16(11)15(17)14(18-3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t11-,12+,14+/m0/s1.
What are the key properties of (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone?
(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone has a molecular weight of 263.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 118541592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).