methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate

C8H16NO3+ — CID 122518924

IUPACmethyl 3-[(3R)-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/t9-/m1/s1
InChIKeyFFNAHXZGPUJYEY-SECBINFHSA-N
MW174.22 g/mol
LogP-0.02
Rot. Bonds3

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

methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate (PubChem CID 122518924) has the molecular formula C8H16NO3+ and a molecular weight of 174.22 g/mol. Its IUPAC name is methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate
PubChem CID122518924
Molecular FormulaC8H16NO3+
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Namemethyl 3-[(3R)-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/t9-/m1/s1
InChIKeyFFNAHXZGPUJYEY-SECBINFHSA-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'}

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Related Compounds

Ethyl 1-pyrrolidinepropanoate
CID 80590
1-Methyl-1-(3-oxo-3-(2-(trimethylazaniumyl)ethoxy)propyl)pyrrolidin-1-ium diiodide
CID 216716
Acetylpyrrolidinecholine
CID 6452992
Methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate
CID 89173
1-Methyl-1-(2-(1-oxo-3-(trimethylammonio)propoxy)ethyl)pyrrolidinium diiodide
CID 3031623
Ethyl 3-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2,2-dimethylpropanoate
CID 294819
Methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 11159595
2-(2-Propan-2-yl-1,3-oxazolidin-3-yl)ethyl acetate
CID 142421262
Diethyl-methyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium
CID 37798
Ethyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate
CID 89175
Trimethyl-[2-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoyloxy]ethyl]azanium
CID 216717
Methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate?
The IUPAC name of methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate (CID 122518924) is methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate.
What is the SMILES notation for methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate?
The canonical SMILES for methyl 3-[(3R)-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-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate?
The InChIKey is FFNAHXZGPUJYEY-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of methyl 3-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate?
methyl 3-[(3R)-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-[(3R)-3-methyl-1,3-oxazolidin-3-ium-3-yl]propanoate is sourced from PubChem (CID 122518924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).