methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate

C15H21NO3 — CID 134918491

IUPACmethyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)[C@H](C)N1[C@@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C15H21NO3/c1-11(14(17)18-4)16-13(10-19-15(16,2)3)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+/m0/s1
InChIKeyMYZOQHSIDSOBLF-WCQYABFASA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds3

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

methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate (PubChem CID 134918491) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate
PubChem CID134918491
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate
SMILESCOC(=O)[C@H](C)N1[C@@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C15H21NO3/c1-11(14(17)18-4)16-13(10-19-15(16,2)3)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+/m0/s1
InChIKeyMYZOQHSIDSOBLF-WCQYABFASA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate (CID 134918491) is methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate is COC(=O)[C@H](C)N1[C@@H](c2ccccc2)COC1(C)C.
What is the InChIKey of methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is MYZOQHSIDSOBLF-WCQYABFASA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(14(17)18-4)16-13(10-19-15(16,2)3)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate?
methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 134918491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).