[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C17H31NO5 — CID 15785004

IUPAC[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-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@H](C)C(C)(C)C
InChIInChI=1S/C17H31NO5/c1-11(15(2,3)4)12(13(19)21-9)23-14(20)18-16(5,6)10-22-17(18,7)8/h11-12H,10H2,1-9H3/t11-,12-/m0/s1
InChIKeyFFSVFYZEFUGERQ-RYUDHWBXSA-N
MW329.44 g/mol
LogP3.19
Rot. Bonds3

About [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15785004) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID15785004
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-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@H](C)C(C)(C)C
InChIInChI=1S/C17H31NO5/c1-11(15(2,3)4)12(13(19)21-9)23-14(20)18-16(5,6)10-22-17(18,7)8/h11-12H,10H2,1-9H3/t11-,12-/m0/s1
InChIKeyFFSVFYZEFUGERQ-RYUDHWBXSA-N
XLogP3.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 15785004) is [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-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@H](C)C(C)(C)C.
What is the InChIKey of [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FFSVFYZEFUGERQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H31NO5/c1-11(15(2,3)4)12(13(19)21-9)23-14(20)18-16(5,6)10-22-17(18,7)8/h11-12H,10H2,1-9H3/t11-,12-/m0/s1.
What are the key properties of [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15785004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).