ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C13H23NO5 — CID 11065616

IUPACethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)[C@@H](OC(C)(C)C)[C@]1(C)CCNC(=O)O1
InChIInChI=1S/C13H23NO5/c1-6-17-10(15)9(18-12(2,3)4)13(5)7-8-14-11(16)19-13/h9H,6-8H2,1-5H3,(H,14,16)/t9-,13+/m1/s1
InChIKeyIHERYFBGRWBLPF-RNCFNFMXSA-N
MW273.33 g/mol
LogP1.62
Rot. Bonds4

About ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 11065616) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID11065616
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nameethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)[C@@H](OC(C)(C)C)[C@]1(C)CCNC(=O)O1
InChIInChI=1S/C13H23NO5/c1-6-17-10(15)9(18-12(2,3)4)13(5)7-8-14-11(16)19-13/h9H,6-8H2,1-5H3,(H,14,16)/t9-,13+/m1/s1
InChIKeyIHERYFBGRWBLPF-RNCFNFMXSA-N
XLogP1.62
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 11065616) is ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)[C@@H](OC(C)(C)C)[C@]1(C)CCNC(=O)O1.
What is the InChIKey of ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is IHERYFBGRWBLPF-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H23NO5/c1-6-17-10(15)9(18-12(2,3)4)13(5)7-8-14-11(16)19-13/h9H,6-8H2,1-5H3,(H,14,16)/t9-,13+/m1/s1.
What are the key properties of ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 273.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(6S)-6-methyl-2-oxo-1,3-oxazinan-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 11065616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).