methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate

C10H19NO4 — CID 146218942

IUPACmethyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate
SMILESCOC(=O)CCOC[C@@H]1COC(C)(C)N1
InChIInChI=1S/C10H19NO4/c1-10(2)11-8(7-15-10)6-14-5-4-9(12)13-3/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyRJIDSYOJOPEUHP-MRVPVSSYSA-N
MW217.26 g/mol
LogP0.29
Rot. Bonds5

About methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate

methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate (PubChem CID 146218942) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate
PubChem CID146218942
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate
SMILESCOC(=O)CCOC[C@@H]1COC(C)(C)N1
InChIInChI=1S/C10H19NO4/c1-10(2)11-8(7-15-10)6-14-5-4-9(12)13-3/h8,11H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyRJIDSYOJOPEUHP-MRVPVSSYSA-N
XLogP0.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate?
The IUPAC name of methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate (CID 146218942) is methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate.
What is the SMILES notation for methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate?
The canonical SMILES for methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate is COC(=O)CCOC[C@@H]1COC(C)(C)N1.
What is the InChIKey of methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate?
The InChIKey is RJIDSYOJOPEUHP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2)11-8(7-15-10)6-14-5-4-9(12)13-3/h8,11H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate?
methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate has a molecular weight of 217.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4R)-2,2-dimethyl-1,3-oxazolidin-4-yl]methoxy]propanoate is sourced from PubChem (CID 146218942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).