methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate

C14H15NO5 — CID 101335071

IUPACmethyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)C(C)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C14H15NO5/c1-9(13(17)19-2)12(16)15-11(8-20-14(15)18)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9?,11-/m0/s1
InChIKeyVUVPXNTXAJMZIV-UMJHXOGRSA-N
MW277.28 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate

methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate (PubChem CID 101335071) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate
PubChem CID101335071
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)C(C)C(=O)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C14H15NO5/c1-9(13(17)19-2)12(16)15-11(8-20-14(15)18)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9?,11-/m0/s1
InChIKeyVUVPXNTXAJMZIV-UMJHXOGRSA-N
XLogP1.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate (CID 101335071) is methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate is COC(=O)C(C)C(=O)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is VUVPXNTXAJMZIV-UMJHXOGRSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9(13(17)19-2)12(16)15-11(8-20-14(15)18)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9?,11-/m0/s1.
What are the key properties of methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 277.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 101335071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).