ethyl (2S)-2-amino-2-phenylpropanoate

C11H15NO2 — CID 86615568

IUPACethyl (2S)-2-amino-2-phenylpropanoate
SMILESCCOC(=O)[C@@](C)(N)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3/t11-/m0/s1
InChIKeyINIZIUDFZIBLPT-NSHDSACASA-N
MW193.25 g/mol
LogP1.42
Rot. Bonds3

About ethyl (2S)-2-amino-2-phenylpropanoate

ethyl (2S)-2-amino-2-phenylpropanoate (PubChem CID 86615568) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-phenylpropanoate
PubChem CID86615568
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl (2S)-2-amino-2-phenylpropanoate
SMILESCCOC(=O)[C@@](C)(N)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3/t11-/m0/s1
InChIKeyINIZIUDFZIBLPT-NSHDSACASA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
benzyl 2-amino-2-phenylpropanoate
CID 54322564
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-amino-2-phenylpropanoate (CID 86615568) is ethyl (2S)-2-amino-2-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-2-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-amino-2-phenylpropanoate is CCOC(=O)[C@@](C)(N)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-amino-2-phenylpropanoate?
The InChIKey is INIZIUDFZIBLPT-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-2-phenylpropanoate?
ethyl (2S)-2-amino-2-phenylpropanoate has a molecular weight of 193.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-phenylpropanoate is sourced from PubChem (CID 86615568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).