tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate

C14H19NO5 — CID 174386611

IUPACtert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate
SMILESCC(C)(C)OC(=O)[C@H](OC(=O)CN)c1ccc(O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)12(19-11(17)8-15)9-4-6-10(16)7-5-9/h4-7,12,16H,8,15H2,1-3H3/t12-/m1/s1
InChIKeyVVMJSUCFGBNTHQ-GFCCVEGCSA-N
MW281.31 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate

tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate (PubChem CID 174386611) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate
PubChem CID174386611
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nametert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate
SMILESCC(C)(C)OC(=O)[C@H](OC(=O)CN)c1ccc(O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)12(19-11(17)8-15)9-4-6-10(16)7-5-9/h4-7,12,16H,8,15H2,1-3H3/t12-/m1/s1
InChIKeyVVMJSUCFGBNTHQ-GFCCVEGCSA-N
XLogP1.28
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Hydroxyphenyl)-2-methoxyacetic acid
CID 18958975
(2S,3R)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid
CID 23143915
(r,s)-p-Hydroxyphenyl glycine methyl ester
CID 53912069
Methoxy-4-hydroxymandelic acid
CID 53982447
(2-Aminoacetyl) 3-(4-hydroxyphenyl)propanoate
CID 57183039
beta-Methoxytyrosine
CID 66661517
[(2S)-1-amino-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624869
Methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate
CID 18701942
(RS)-(2,6-difluoro-4-hydroxy-phenyl)-ethoxy-acetic acid
CID 21904946
(RS)-(2-fluoro-4-hydroxy-phenyl)-methoxy-acetic acid
CID 45115839
Ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-methoxyacetate
CID 69290018
(RS)-(2,6-difluoro-4-hydroxy-phenyl)-ethoxy-acetic acid ethyl ester
CID 69290842

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate?
The IUPAC name of tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate (CID 174386611) is tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate is CC(C)(C)OC(=O)[C@H](OC(=O)CN)c1ccc(O)cc1.
What is the InChIKey of tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate?
The InChIKey is VVMJSUCFGBNTHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)12(19-11(17)8-15)9-4-6-10(16)7-5-9/h4-7,12,16H,8,15H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate?
tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate has a molecular weight of 281.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(2-aminoacetyl)oxy-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 174386611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).