[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate

C9H15NO4 — CID 101426810

IUPAC[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate
SMILESCC[C@H](OC(C)=O)[C@H]1CCOC(=O)N1
InChIInChI=1S/C9H15NO4/c1-3-8(14-6(2)11)7-4-5-13-9(12)10-7/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyMPKNTRSIDCLBDM-SFYZADRCSA-N
MW201.22 g/mol
LogP0.83
Rot. Bonds3

About [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate

[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate (PubChem CID 101426810) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate.

Molecular Properties

Compound Name[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate
PubChem CID101426810
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate
SMILESCC[C@H](OC(C)=O)[C@H]1CCOC(=O)N1
InChIInChI=1S/C9H15NO4/c1-3-8(14-6(2)11)7-4-5-13-9(12)10-7/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1
InChIKeyMPKNTRSIDCLBDM-SFYZADRCSA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate?
The IUPAC name of [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate (CID 101426810) is [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate.
What is the SMILES notation for [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate?
The canonical SMILES for [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate is CC[C@H](OC(C)=O)[C@H]1CCOC(=O)N1.
What is the InChIKey of [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate?
The InChIKey is MPKNTRSIDCLBDM-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-8(14-6(2)11)7-4-5-13-9(12)10-7/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8+/m1/s1.
What are the key properties of [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate?
[(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate has a molecular weight of 201.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(4R)-2-oxo-1,3-oxazinan-4-yl]propyl] acetate is sourced from PubChem (CID 101426810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).