[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C15H27NO5 — CID 100997055

IUPAC[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](OC(=O)N1C(C)(C)COC1(C)C)C(C)(C)C
InChIInChI=1S/C15H27NO5/c1-13(2,3)10(11(17)19-8)21-12(18)16-14(4,5)9-20-15(16,6)7/h10H,9H2,1-8H3/t10-/m1/s1
InChIKeyKPSJXQPPTPQQJV-SNVBAGLBSA-N
MW301.38 g/mol
LogP2.56
Rot. Bonds2

About [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 100997055) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID100997055
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](OC(=O)N1C(C)(C)COC1(C)C)C(C)(C)C
InChIInChI=1S/C15H27NO5/c1-13(2,3)10(11(17)19-8)21-12(18)16-14(4,5)9-20-15(16,6)7/h10H,9H2,1-8H3/t10-/m1/s1
InChIKeyKPSJXQPPTPQQJV-SNVBAGLBSA-N
XLogP2.56
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 100997055) is [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H](OC(=O)N1C(C)(C)COC1(C)C)C(C)(C)C.
What is the InChIKey of [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KPSJXQPPTPQQJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H27NO5/c1-13(2,3)10(11(17)19-8)21-12(18)16-14(4,5)9-20-15(16,6)7/h10H,9H2,1-8H3/t10-/m1/s1.
What are the key properties of [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxy-3,3-dimethyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 100997055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).