methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate

C15H19NO4 — CID 10858783

IUPACmethyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate
SMILESCN[C@@]1(c2ccccc2)CC(=O)O[C@H](C)[C@H]1C(=O)OC
InChIInChI=1S/C15H19NO4/c1-10-13(14(18)19-3)15(16-2,9-12(17)20-10)11-7-5-4-6-8-11/h4-8,10,13,16H,9H2,1-3H3/t10-,13+,15-/m1/s1
InChIKeyYBWFRZQJSCEGFT-RIEGTJTDSA-N
MW277.32 g/mol
LogP1.23
Rot. Bonds3

About methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate

methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate (PubChem CID 10858783) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate
PubChem CID10858783
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate
SMILESCN[C@@]1(c2ccccc2)CC(=O)O[C@H](C)[C@H]1C(=O)OC
InChIInChI=1S/C15H19NO4/c1-10-13(14(18)19-3)15(16-2,9-12(17)20-10)11-7-5-4-6-8-11/h4-8,10,13,16H,9H2,1-3H3/t10-,13+,15-/m1/s1
InChIKeyYBWFRZQJSCEGFT-RIEGTJTDSA-N
XLogP1.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate 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 (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate?
The IUPAC name of methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate (CID 10858783) is methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate.
What is the SMILES notation for methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate?
The canonical SMILES for methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate is CN[C@@]1(c2ccccc2)CC(=O)O[C@H](C)[C@H]1C(=O)OC.
What is the InChIKey of methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate?
The InChIKey is YBWFRZQJSCEGFT-RIEGTJTDSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-13(14(18)19-3)15(16-2,9-12(17)20-10)11-7-5-4-6-8-11/h4-8,10,13,16H,9H2,1-3H3/t10-,13+,15-/m1/s1.
What are the key properties of methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate?
methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S)-2-methyl-4-(methylamino)-6-oxo-4-phenyloxane-3-carboxylate is sourced from PubChem (CID 10858783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).