ethyl 2-acetamido-3-phenylpropanoate

C13H17NO3 — CID 600541

IUPACethyl 2-acetamido-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)
InChIKeyYIVZYFDBEPMPNL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.30
Rot. Bonds5

About ethyl 2-acetamido-3-phenylpropanoate

ethyl 2-acetamido-3-phenylpropanoate (PubChem CID 600541) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3-phenylpropanoate
PubChem CID600541
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-acetamido-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15)
InChIKeyYIVZYFDBEPMPNL-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3-phenylpropanoate?
The IUPAC name of ethyl 2-acetamido-3-phenylpropanoate (CID 600541) is ethyl 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-acetamido-3-phenylpropanoate?
The canonical SMILES for ethyl 2-acetamido-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-3-phenylpropanoate?
The InChIKey is YIVZYFDBEPMPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-acetamido-3-phenylpropanoate?
ethyl 2-acetamido-3-phenylpropanoate has a molecular weight of 235.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 600541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).