2-ethoxyethyl 2-amino-2-phenylpropanoate

C13H19NO3 — CID 62488733

IUPAC2-ethoxyethyl 2-amino-2-phenylpropanoate
SMILESCCOCCOC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-16-9-10-17-12(15)13(2,14)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyZSWALSCGXVTJIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds6

About 2-ethoxyethyl 2-amino-2-phenylpropanoate

2-ethoxyethyl 2-amino-2-phenylpropanoate (PubChem CID 62488733) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethoxyethyl 2-amino-2-phenylpropanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-amino-2-phenylpropanoate
PubChem CID62488733
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-ethoxyethyl 2-amino-2-phenylpropanoate
SMILESCCOCCOC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-16-9-10-17-12(15)13(2,14)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3
InChIKeyZSWALSCGXVTJIZ-UHFFFAOYSA-N
XLogP1.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
benzyl 2-amino-2-phenylpropanoate
CID 54322564
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
CID 118088572
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
[3-(2-ethoxyethoxy)-2-methyl-3-phenylbutan-2-yl] hydrogen carbonate
CID 90300637
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-amino-2-phenylpropanoate?
The IUPAC name of 2-ethoxyethyl 2-amino-2-phenylpropanoate (CID 62488733) is 2-ethoxyethyl 2-amino-2-phenylpropanoate.
What is the SMILES notation for 2-ethoxyethyl 2-amino-2-phenylpropanoate?
The canonical SMILES for 2-ethoxyethyl 2-amino-2-phenylpropanoate is CCOCCOC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-ethoxyethyl 2-amino-2-phenylpropanoate?
The InChIKey is ZSWALSCGXVTJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-16-9-10-17-12(15)13(2,14)11-7-5-4-6-8-11/h4-8H,3,9-10,14H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-amino-2-phenylpropanoate?
2-ethoxyethyl 2-amino-2-phenylpropanoate has a molecular weight of 237.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-amino-2-phenylpropanoate is sourced from PubChem (CID 62488733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).