methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate

C12H21NO5 — CID 134919429

IUPACmethyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@@H]1COC(C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C12H21NO5/c1-12(2,3)10-13(11(15)17-5)8(7-18-10)6-9(14)16-4/h8,10H,6-7H2,1-5H3/t8-,10?/m1/s1
InChIKeyZVUMVVRROFXETB-HNHGDDPOSA-N
MW259.30 g/mol
LogP1.39
Rot. Bonds2

About methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate

methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 134919429) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID134919429
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namemethyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@@H]1COC(C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C12H21NO5/c1-12(2,3)10-13(11(15)17-5)8(7-18-10)6-9(14)16-4/h8,10H,6-7H2,1-5H3/t8-,10?/m1/s1
InChIKeyZVUMVVRROFXETB-HNHGDDPOSA-N
XLogP1.39
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate (CID 134919429) is methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate is COC(=O)C[C@@H]1COC(C(C)(C)C)N1C(=O)OC.
What is the InChIKey of methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZVUMVVRROFXETB-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H21NO5/c1-12(2,3)10-13(11(15)17-5)8(7-18-10)6-9(14)16-4/h8,10H,6-7H2,1-5H3/t8-,10?/m1/s1.
What are the key properties of methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134919429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).