ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate

C12H17NO2 — CID 93034516

IUPACethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
SMILESCCOC(=O)[C@H](N)c1ccc(CC)cc1
InChIInChI=1S/C12H17NO2/c1-3-9-5-7-10(8-6-9)11(13)12(14)15-4-2/h5-8,11H,3-4,13H2,1-2H3/t11-/m1/s1
InChIKeyYTPOZOYHIIVIJK-LLVKDONJSA-N
MW207.27 g/mol
LogP1.81
Rot. Bonds4

About ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate

ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate (PubChem CID 93034516) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
PubChem CID93034516
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
SMILESCCOC(=O)[C@H](N)c1ccc(CC)cc1
InChIInChI=1S/C12H17NO2/c1-3-9-5-7-10(8-6-9)11(13)12(14)15-4-2/h5-8,11H,3-4,13H2,1-2H3/t11-/m1/s1
InChIKeyYTPOZOYHIIVIJK-LLVKDONJSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
ethyl 3-(4-ethylphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366833
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
ethyl 2-amino-2-[4-(benzenesulfonyl)phenyl]acetate
CID 3334065
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
CID 83229955
propyl 3-amino-3-(4-ethylphenyl)propanoate
CID 23109989

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate?
The IUPAC name of ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate (CID 93034516) is ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate.
What is the SMILES notation for ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate?
The canonical SMILES for ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate is CCOC(=O)[C@H](N)c1ccc(CC)cc1.
What is the InChIKey of ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate?
The InChIKey is YTPOZOYHIIVIJK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-5-7-10(8-6-9)11(13)12(14)15-4-2/h5-8,11H,3-4,13H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate?
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate is sourced from PubChem (CID 93034516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).