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

C16H29NO5 — CID 15785002

IUPAC[(2S,3R)-1-methoxy-3,4-dimethyl-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
InChIInChI=1S/C16H29NO5/c1-10(2)11(3)12(13(18)20-8)22-14(19)17-15(4,5)9-21-16(17,6)7/h10-12H,9H2,1-8H3/t11-,12+/m1/s1
InChIKeyULKNKBDSWWUOHO-NEPJUHHUSA-N
MW315.41 g/mol
LogP2.80
Rot. Bonds4

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

[(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15785002) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is [(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID15785002
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name[(2S,3R)-1-methoxy-3,4-dimethyl-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
InChIInChI=1S/C16H29NO5/c1-10(2)11(3)12(13(18)20-8)22-14(19)17-15(4,5)9-21-16(17,6)7/h10-12H,9H2,1-8H3/t11-,12+/m1/s1
InChIKeyULKNKBDSWWUOHO-NEPJUHHUSA-N
XLogP2.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15785001
[(2R,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15785003
[(2S,3R)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15785004
[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100997051
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100997054
[(2S,3S)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101697701
[(2R,3S)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101697702
[(2S,3S)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101697703
[(2R,3S)-1-methoxy-3,4,4-trimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101697704
[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101698224
[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101698225

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 15785002) is [(2S,3R)-1-methoxy-3,4-dimethyl-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-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S,3R)-1-methoxy-3,4-dimethyl-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.
What is the InChIKey of [(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ULKNKBDSWWUOHO-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H29NO5/c1-10(2)11(3)12(13(18)20-8)22-14(19)17-15(4,5)9-21-16(17,6)7/h10-12H,9H2,1-8H3/t11-,12+/m1/s1.
What are the key properties of [(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S,3R)-1-methoxy-3,4-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.80, 4 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-dimethyl-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15785002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).