tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate

C14H19NO5 — CID 101086095

IUPACtert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate
SMILESCC(C)(C)OC(=O)C(NC(=O)CO)c1ccc(O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(19)12(15-11(18)8-16)9-4-6-10(17)7-5-9/h4-7,12,16-17H,8H2,1-3H3,(H,15,18)
InChIKeyZFVCHRMFBSVATB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.88
Rot. Bonds4

About tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate

tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate (PubChem CID 101086095) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate
PubChem CID101086095
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nametert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate
SMILESCC(C)(C)OC(=O)C(NC(=O)CO)c1ccc(O)cc1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(19)12(15-11(18)8-16)9-4-6-10(17)7-5-9/h4-7,12,16-17H,8H2,1-3H3,(H,15,18)
InChIKeyZFVCHRMFBSVATB-UHFFFAOYSA-N
XLogP0.88
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(4-hydroxyphenyl)-2-[3-[[1-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propylamino]acetate
CID 101086089
ditert-butyl 2-[amino-(4-hydroxyphenyl)methyl]propanedioate
CID 174570665
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
tert-butyl (2S)-2-(4-hydroxyphenyl)-2-[[4-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]acetate
CID 58545911
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-(4-hydroxyphenyl)acetate
CID 178035855
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopropylacetyl)amino]-2-phenylacetyl]amino]-2-phenylacetate
CID 140999655
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
CID 115539468
tert-butyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 10892684
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
tert-butyl 2-[(3-amino-2-oxohexanoyl)amino]-2-phenylacetate
CID 70838359
ethyl (3S)-3-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 86587223

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate?
The IUPAC name of tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate (CID 101086095) is tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate is CC(C)(C)OC(=O)C(NC(=O)CO)c1ccc(O)cc1.
What is the InChIKey of tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate?
The InChIKey is ZFVCHRMFBSVATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)12(15-11(18)8-16)9-4-6-10(17)7-5-9/h4-7,12,16-17H,8H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate?
tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate has a molecular weight of 281.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxyacetyl)amino]-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 101086095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).