methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate

C8H15NO3 — CID 144653698

IUPACmethyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(C)(C)O[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-5-6(7(10)11-4)9-8(2,3)12-5/h5-6,9H,1-4H3/t5-,6?/m1/s1
InChIKeyVWFRSFHGOANAFG-LWOQYNTDSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds1

About methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate

methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 144653698) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID144653698
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(C)(C)O[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-5-6(7(10)11-4)9-8(2,3)12-5/h5-6,9H,1-4H3/t5-,6?/m1/s1
InChIKeyVWFRSFHGOANAFG-LWOQYNTDSA-N
XLogP0.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-oxo-oxazolidine-4-carboxylic acid methyl ester
CID 12781789
ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 131104163
Methyl (4S)-2-(tert-Butyl)oxazolidine-4-carboxylate
CID 10921264
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
[4s,5r]-5-Methyl-oxazolidine-4-carboxylic acid
CID 53994447
(2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
CID 137350009
4-Methoxycarbonyl-5-methyl oxazolidine
CID 11205827
(4s,5s)-5-Methyloxazolidine-4-carboxylic acid
CID 53994448
ethyl (2S,3R,5R)-5-ethyl-2-methylmorpholine-3-carboxylate
CID 155935691
methyl (4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844594
Tert-butyl 5-(fluoromethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 83854311
methyl (2R,4S)-2-methyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 130848210

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate (CID 144653698) is methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1NC(C)(C)O[C@@H]1C.
What is the InChIKey of methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is VWFRSFHGOANAFG-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5-6(7(10)11-4)9-8(2,3)12-5/h5-6,9H,1-4H3/t5-,6?/m1/s1.
What are the key properties of methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate?
methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 144653698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).