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'}

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

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Related Compounds

(5S)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 58653718
5-(Aminomethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 55284631
(5R)-5-[(dimethylamino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 72545094
trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-propyl-, monohydrobromide
CID 3040561
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-butyl-, monohydrobromide
CID 3040563
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-(2-methylpropyl)-, monohydrobromide
CID 3040565
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
5-(Aminomethyl)-3-methyl-1,3-oxazolidin-2-one
CID 20616683
5-(Aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 55268663
(5R)-5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one hydrochloride
CID 134690964

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).