ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate

C14H17NO4 — CID 10912347

IUPACethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)[C@H]1COC(=O)N1
InChIInChI=1S/C14H17NO4/c1-2-18-13(16)11(12-9-19-14(17)15-12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyGUDIXSQWJIRIDQ-VXGBXAGGSA-N
MW263.29 g/mol
LogP1.52
Rot. Bonds5

About ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate

ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate (PubChem CID 10912347) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
PubChem CID10912347
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)[C@H]1COC(=O)N1
InChIInChI=1S/C14H17NO4/c1-2-18-13(16)11(12-9-19-14(17)15-12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyGUDIXSQWJIRIDQ-VXGBXAGGSA-N
XLogP1.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(1R,2R)-1-hydroxy-3,3-dimethyl-2-phenylmethoxybutyl]-1,3-oxazolidin-2-one
CID 139252385
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670
2-ethoxycarbonyl-4-methyl-5-phenylpentanoic acid
CID 174946151
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl (2R,3R)-2-benzyl-3,4-dimethylpentanoate
CID 11459321
methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288
ethyl 1-(1-chloro-2-phenylethyl)piperidine-4-carboxylate
CID 176726308
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
diethyl (2S,3R)-2-benzyl-3-hydroxybutanedioate
CID 12567693

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
The IUPAC name of ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate (CID 10912347) is ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
The canonical SMILES for ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)[C@H]1COC(=O)N1.
What is the InChIKey of ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
The InChIKey is GUDIXSQWJIRIDQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-18-13(16)11(12-9-19-14(17)15-12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate?
ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate has a molecular weight of 263.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]-3-phenylpropanoate is sourced from PubChem (CID 10912347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).