tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H27NO4 — CID 10754739

IUPACtert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](CO)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(8-16)7-11-9-18-14(5,6)15(11)12(17)19-13(2,3)4/h10-11,16H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyZZWCRJWLSVHRGB-MNOVXSKESA-N
MW273.37 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10754739) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10754739
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](CO)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-10(8-16)7-11-9-18-14(5,6)15(11)12(17)19-13(2,3)4/h10-11,16H,7-9H2,1-6H3/t10-,11+/m1/s1
InChIKeyZZWCRJWLSVHRGB-MNOVXSKESA-N
XLogP2.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-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 (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11832131
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 146510523
Tert-butyl (4S)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10879805
Tert-butyl 4-(2-fluoro-3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176199937
tert-butyl (4R)-4-[(2S)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223820
tert-butyl (4S)-4-[(2S)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223827
tert-butyl (4R)-4-(2-fluoro-3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223841
tert-butyl (4R)-4-[(2R)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223876
tert-butyl (4S)-4-[(2R)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223903
tert-butyl (4R)-2,2-dimethyl-4-[(3S)-1,1,1-trifluoro-5-hydroxypentan-3-yl]-1,3-oxazolidine-3-carboxylate
CID 176319414
tert-butyl (4R)-2,2-dimethyl-4-[(3R)-6,6,6-trifluoro-1-hydroxyhexan-3-yl]-1,3-oxazolidine-3-carboxylate
CID 176319691

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10754739) is tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H](CO)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZZWCRJWLSVHRGB-MNOVXSKESA-N. The full InChI is InChI=1S/C14H27NO4/c1-10(8-16)7-11-9-18-14(5,6)15(11)12(17)19-13(2,3)4/h10-11,16H,7-9H2,1-6H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10754739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).