tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate

C15H21NO4 — CID 122135691

IUPACtert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
SMILESCOC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)13(16-10-12(17)19-4)11-8-6-5-7-9-11/h5-9,13,16H,10H2,1-4H3/t13-/m1/s1
InChIKeyXEBPAFVCBYVQRP-CYBMUJFWSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds5

About tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate

tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate (PubChem CID 122135691) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
PubChem CID122135691
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate
SMILESCOC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)13(16-10-12(17)19-4)11-8-6-5-7-9-11/h5-9,13,16H,10H2,1-4H3/t13-/m1/s1
InChIKeyXEBPAFVCBYVQRP-CYBMUJFWSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
CID 19834269
tert-butyl (2S)-3-benzyl-2-[(2-methoxy-2-oxoethyl)amino]but-3-enoate
CID 57104157
tert-butyl (2R)-2-(ethylsulfonylamino)-2-phenylacetate
CID 81005292
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
CID 115539468
tert-butyl 2-(4-hydroxyphenyl)-2-[3-[[1-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propylamino]acetate
CID 101086089
tert-butyl 2-amino-2-[4-[[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]amino]methyl]cyclohexyl]acetate
CID 174531024
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
methyl 4-[[1-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 163290959
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
tert-butyl 2-[(4-ethyl-2-fluorophenyl)methylamino]-2-phenylacetate
CID 71192085
tert-butyl (2R)-2-(difluoromethylsulfonylamino)-2-phenylacetate
CID 80999965

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate?
The IUPAC name of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate (CID 122135691) is tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate?
The canonical SMILES for tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate is COC(=O)CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate?
The InChIKey is XEBPAFVCBYVQRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)13(16-10-12(17)19-4)11-8-6-5-7-9-11/h5-9,13,16H,10H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate?
tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate has a molecular weight of 279.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)amino]-2-phenylacetate is sourced from PubChem (CID 122135691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).