dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate

C11H19NO5 — CID 11694437

IUPACdimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CO[C@H](C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-11(2,3)9-12(10(14)16-5)7(6-17-9)8(13)15-4/h7,9H,6H2,1-5H3/t7-,9+/m0/s1
InChIKeyXUUMPOSHNXPPFE-IONNQARKSA-N
MW245.27 g/mol
LogP1.00
Rot. Bonds1

About dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate

dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 11694437) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID11694437
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namedimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CO[C@H](C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-11(2,3)9-12(10(14)16-5)7(6-17-9)8(13)15-4/h7,9H,6H2,1-5H3/t7-,9+/m0/s1
InChIKeyXUUMPOSHNXPPFE-IONNQARKSA-N
XLogP1.00
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate (CID 11694437) is dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)[C@@H]1CO[C@H](C(C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is XUUMPOSHNXPPFE-IONNQARKSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)9-12(10(14)16-5)7(6-17-9)8(13)15-4/h7,9H,6H2,1-5H3/t7-,9+/m0/s1.
What are the key properties of dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate?
dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 245.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 11694437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).