tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate

C19H35NO5 — CID 101215487

IUPACtert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1OC(C)(C)OC[C@H]1C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C19H35NO5/c1-12-15(10-14-11-22-19(8,9)23-13(14)2)24-18(6,7)20(12)16(21)25-17(3,4)5/h12-15H,10-11H2,1-9H3/t12-,13-,14+,15+/m0/s1
InChIKeyOWDBKNABIKGADD-BYNSBNAKSA-N
MW357.49 g/mol
LogP3.92
Rot. Bonds2

About tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 101215487) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID101215487
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Nametert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1OC(C)(C)OC[C@H]1C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C
InChIInChI=1S/C19H35NO5/c1-12-15(10-14-11-22-19(8,9)23-13(14)2)24-18(6,7)20(12)16(21)25-17(3,4)5/h12-15H,10-11H2,1-9H3/t12-,13-,14+,15+/m0/s1
InChIKeyOWDBKNABIKGADD-BYNSBNAKSA-N
XLogP3.92
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4R)-2,2-dimethyl-4-[2-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]ethyl]-1,3-oxazolidine-3-carboxylate
CID 11179577
2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 54594433
2-[(4R,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-yl-1,3-oxazolidin-5-yl]acetic acid
CID 14237856
tert-butyl (4S,5S)-4-carbamoyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 95903192
tert-butyl (4S,5S)-4-(cyclohexylmethyl)-5-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14424783
tert-butyl (4R,5R)-4-[(cyclopropylcarbamoylamino)methyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 95772282
tert-butyl (4S,5R)-4-[(cyclopropylcarbamoylamino)methyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 95772280
tert-butyl (4S)-2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
CID 11042946
5-hydroxy-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-4-carboxylic acid
CID 140903609
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11392503
tert-butyl (4S,5S)-4-(iodomethyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 140879292
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate (CID 101215487) is tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate is C[C@@H]1OC(C)(C)OC[C@H]1C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is OWDBKNABIKGADD-BYNSBNAKSA-N. The full InChI is InChI=1S/C19H35NO5/c1-12-15(10-14-11-22-19(8,9)23-13(14)2)24-18(6,7)20(12)16(21)25-17(3,4)5/h12-15H,10-11H2,1-9H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 357.49 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-2,2,4-trimethyl-5-[[(4S,5R)-2,2,4-trimethyl-1,3-dioxan-5-yl]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101215487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).