tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate

C12H25NO4 — CID 125458752

IUPACtert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate
SMILESCOC[C@@](CC(C)C)(ON)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-9(2)7-12(17-13,8-15-6)10(14)16-11(3,4)5/h9H,7-8,13H2,1-6H3/t12-/m1/s1
InChIKeyWPFXTNDOXSFPEJ-GFCCVEGCSA-N
MW247.33 g/mol
LogP1.65
Rot. Bonds6

About tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate

tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate (PubChem CID 125458752) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate
PubChem CID125458752
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate
SMILESCOC[C@@](CC(C)C)(ON)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-9(2)7-12(17-13,8-15-6)10(14)16-11(3,4)5/h9H,7-8,13H2,1-6H3/t12-/m1/s1
InChIKeyWPFXTNDOXSFPEJ-GFCCVEGCSA-N
XLogP1.65
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
3-O-tert-butyl 1-O-methyl 2-amino-2-(2-methylpropyl)propanedioate
CID 142841026
tert-butyl 2-ethyl-2-(methoxymethyl)-3-methylbutanoate
CID 23297145
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
(2S)-4-methyl-2-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 122703475
methyl 2-acetyloxy-2,4-dimethylpentanoate
CID 166684864
tert-butyl 2,5-diamino-4,4-difluoro-2-(2-methylpropyl)-3-oxopentanoate
CID 57285169
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843
tert-butyl 2-(1-methoxypropan-2-yloxy)propanoate
CID 66338285

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate?
The IUPAC name of tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate (CID 125458752) is tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate.
What is the SMILES notation for tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate?
The canonical SMILES for tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate is COC[C@@](CC(C)C)(ON)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate?
The InChIKey is WPFXTNDOXSFPEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO4/c1-9(2)7-12(17-13,8-15-6)10(14)16-11(3,4)5/h9H,7-8,13H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate?
tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate has a molecular weight of 247.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-aminooxy-2-(methoxymethyl)-4-methylpentanoate is sourced from PubChem (CID 125458752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).