tert-butyl (2S)-2-amino-2-phenylacetate

C12H17NO2 — CID 7016394

IUPACtert-butyl (2S)-2-amino-2-phenylacetate
SMILESCC(C)(C)OC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3/t10-/m0/s1
InChIKeyHJLYKRGXTOVWFL-JTQLQIEISA-N
MW207.27 g/mol
LogP2.03
Rot. Bonds2

About tert-butyl (2S)-2-amino-2-phenylacetate

tert-butyl (2S)-2-amino-2-phenylacetate (PubChem CID 7016394) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-2-phenylacetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-2-phenylacetate
PubChem CID7016394
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nametert-butyl (2S)-2-amino-2-phenylacetate
SMILESCC(C)(C)OC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3/t10-/m0/s1
InChIKeyHJLYKRGXTOVWFL-JTQLQIEISA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-2-phenylacetate?
The IUPAC name of tert-butyl (2S)-2-amino-2-phenylacetate (CID 7016394) is tert-butyl (2S)-2-amino-2-phenylacetate.
What is the SMILES notation for tert-butyl (2S)-2-amino-2-phenylacetate?
The canonical SMILES for tert-butyl (2S)-2-amino-2-phenylacetate is CC(C)(C)OC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-amino-2-phenylacetate?
The InChIKey is HJLYKRGXTOVWFL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-2-phenylacetate?
tert-butyl (2S)-2-amino-2-phenylacetate has a molecular weight of 207.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-2-phenylacetate is sourced from PubChem (CID 7016394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).