tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate

C12H25NO3 — CID 166066417

IUPACtert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OC[C@@](C)(N)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-10(2,3)15-8-12(7,13)9(14)16-11(4,5)6/h8,13H2,1-7H3/t12-/m1/s1
InChIKeyLTAUCGSGLYAULJ-GFCCVEGCSA-N
MW231.34 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 166066417) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID166066417
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OC[C@@](C)(N)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-10(2,3)15-8-12(7,13)9(14)16-11(4,5)6/h8,13H2,1-7H3/t12-/m1/s1
InChIKeyLTAUCGSGLYAULJ-GFCCVEGCSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-2-methylbutanoate
CID 57065148
tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane
CID 160668892
tert-butyl 2-amino-2-methyl-3-propanoylperoxypropanoate
CID 175589299
tert-butyl (2S)-2,5-diamino-2-methylpentanoate
CID 54077962
tert-butyl 2-methyl-3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]but-1-en-2-yl]oxy-2-[[3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]but-1-en-2-yl]oxymethyl]propanoate
CID 58085172
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
ditert-butyl 2-amino-2-[[[2-amino-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopropyl]disulfanyl]methyl]propanedioate
CID 165146605
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl (2S)-2-amino-3-(4-tert-butylphenyl)-2-methylpropanoate
CID 101249445

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 166066417) is tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate is CC(C)(C)OC[C@@](C)(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is LTAUCGSGLYAULJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2,3)15-8-12(7,13)9(14)16-11(4,5)6/h8,13H2,1-7H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 231.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 166066417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).