tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

C14H27NO4 — CID 59065768

IUPACtert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1[C@H](CO)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-9(2)11-10(8-16)18-14(6,7)15(11)12(17)19-13(3,4)5/h9-11,16H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyUCBSYONKQQZFCN-QWRGUYRKSA-N
MW273.37 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 59065768) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID59065768
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1[C@H](CO)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-9(2)11-10(8-16)18-14(6,7)15(11)12(17)19-13(3,4)5/h9-11,16H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyUCBSYONKQQZFCN-QWRGUYRKSA-N
XLogP2.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
Tert-butyl 4-hydroxy-2-(propan-2-yl)pyrrolidine-1-carboxylate
CID 23589003
5-Ethyl-4-hydroxy-3-(2-hydroxyethyl)-4,5-dimethyl-1,3-oxazolidin-2-one
CID 5133684
tert-butyl (3R,4R)-3-hydroxy-4-(2-hydroxyethoxy)pyrrolidine-1-carboxylate
CID 54052542
tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10754739
tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11471354
tert-butyl (4R)-4-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102253844
tert-butyl (4R)-4-[(1S)-1-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124491573
tert-butyl (4R)-4-[(1R)-1-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124491574
tert-butyl (4S)-4-[(1R,2R)-1,3-dihydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833542
tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833843
tert-butyl (4R)-4-[(2S,3S)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 139038113

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 59065768) is tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is CC(C)[C@H]1[C@H](CO)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UCBSYONKQQZFCN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H27NO4/c1-9(2)11-10(8-16)18-14(6,7)15(11)12(17)19-13(3,4)5/h9-11,16H,8H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 59065768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).