ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C11H18N2O6 — CID 50851138

IUPACethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC[C@H]1C(=O)NCCOC
InChIInChI=1S/C11H18N2O6/c1-3-18-9(14)6-13-8(7-19-11(13)16)10(15)12-4-5-17-2/h8H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyLLNHOACBSCWXRD-QMMMGPOBSA-N
MW274.27 g/mol
LogP-0.87
Rot. Bonds7

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

ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 50851138) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID50851138
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Nameethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC[C@H]1C(=O)NCCOC
InChIInChI=1S/C11H18N2O6/c1-3-18-9(14)6-13-8(7-19-11(13)16)10(15)12-4-5-17-2/h8H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyLLNHOACBSCWXRD-QMMMGPOBSA-N
XLogP-0.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 50851138) is ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)OC[C@H]1C(=O)NCCOC.
What is the InChIKey of ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is LLNHOACBSCWXRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-3-18-9(14)6-13-8(7-19-11(13)16)10(15)12-4-5-17-2/h8H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1.
What are the key properties of ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 274.27 g/mol, XLogP of -0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-4-(2-methoxyethylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 50851138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).