methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate

C8H16NO3+ — CID 58152808

IUPACmethyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
SMILESCOC(=O)CC[N+]1(C)CCOC1
InChIInChI=1S/C8H16NO3/c1-9(5-6-12-7-9)4-3-8(10)11-2/h3-7H2,1-2H3/q+1
InChIKeyFFNAHXZGPUJYEY-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.02
Rot. Bonds3

About methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate

methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate (PubChem CID 58152808) has the molecular formula C8H16NO3+ and a molecular weight of 174.22 g/mol. Its IUPAC name is methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
PubChem CID58152808
Molecular FormulaC8H16NO3+
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Namemethyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
SMILESCOC(=O)CC[N+]1(C)CCOC1
InChIInChI=1S/C8H16NO3/c1-9(5-6-12-7-9)4-3-8(10)11-2/h3-7H2,1-2H3/q+1
InChIKeyFFNAHXZGPUJYEY-UHFFFAOYSA-N
XLogP-0.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate?
The IUPAC name of methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate (CID 58152808) is methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate.
What is the SMILES notation for methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate?
The canonical SMILES for methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate is COC(=O)CC[N+]1(C)CCOC1.
What is the InChIKey of methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate?
The InChIKey is FFNAHXZGPUJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO3/c1-9(5-6-12-7-9)4-3-8(10)11-2/h3-7H2,1-2H3/q+1.
What are the key properties of methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate?
methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate has a molecular weight of 174.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate is sourced from PubChem (CID 58152808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).