trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium

C8H17N2O2+ — CID 72545329

IUPACtrimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
SMILESCN1C[C@@H](C[N+](C)(C)C)OC1=O
InChIInChI=1S/C8H17N2O2/c1-9-5-7(12-8(9)11)6-10(2,3)4/h7H,5-6H2,1-4H3/q+1/t7-/m0/s1
InChIKeyHPBPYAVNZRYWLD-ZETCQYMHSA-N
MW173.24 g/mol
LogP0.14
Rot. Bonds2

About trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium

trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium (PubChem CID 72545329) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
PubChem CID72545329
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Nametrimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
SMILESCN1C[C@@H](C[N+](C)(C)C)OC1=O
InChIInChI=1S/C8H17N2O2/c1-9-5-7(12-8(9)11)6-10(2,3)4/h7H,5-6H2,1-4H3/q+1/t7-/m0/s1
InChIKeyHPBPYAVNZRYWLD-ZETCQYMHSA-N
XLogP0.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium?
The IUPAC name of trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium (CID 72545329) is trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium.
What is the SMILES notation for trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium?
The canonical SMILES for trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium is CN1C[C@@H](C[N+](C)(C)C)OC1=O.
What is the InChIKey of trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium?
The InChIKey is HPBPYAVNZRYWLD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N2O2/c1-9-5-7(12-8(9)11)6-10(2,3)4/h7H,5-6H2,1-4H3/q+1/t7-/m0/s1.
What are the key properties of trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium?
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium has a molecular weight of 173.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium is sourced from PubChem (CID 72545329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).