methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate

C13H19NO3 — CID 82353260

IUPACmethyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
SMILESCOC(=O)C(OCC(C)(C)N)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,14)9-17-11(12(15)16-3)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3
InChIKeyXLNXHVLPIAYPKG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate

methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate (PubChem CID 82353260) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
PubChem CID82353260
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
SMILESCOC(=O)C(OCC(C)(C)N)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,14)9-17-11(12(15)16-3)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3
InChIKeyXLNXHVLPIAYPKG-UHFFFAOYSA-N
XLogP1.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-aminopropoxy)-2-phenylacetate
CID 82352677
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl (2R)-2-decoxy-2-phenylacetate
CID 45114277
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-(2-bromoacetyl)oxy-2-phenylacetate
CID 87076248
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 11108847

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate?
The IUPAC name of methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate (CID 82353260) is methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate is COC(=O)C(OCC(C)(C)N)c1ccccc1.
What is the InChIKey of methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate?
The InChIKey is XLNXHVLPIAYPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,14)9-17-11(12(15)16-3)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3.
What are the key properties of methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate?
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate has a molecular weight of 237.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate is sourced from PubChem (CID 82353260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).