(2-amino-2-oxoethyl) 3,3-diphenylpropanoate

C17H17NO3 — CID 2419502

IUPAC(2-amino-2-oxoethyl) 3,3-diphenylpropanoate
SMILESNC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c18-16(19)12-21-17(20)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19)
InChIKeyCHYQXDFAYNTDIC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds6

About (2-amino-2-oxoethyl) 3,3-diphenylpropanoate

(2-amino-2-oxoethyl) 3,3-diphenylpropanoate (PubChem CID 2419502) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3,3-diphenylpropanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3,3-diphenylpropanoate
PubChem CID2419502
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2-amino-2-oxoethyl) 3,3-diphenylpropanoate
SMILESNC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c18-16(19)12-21-17(20)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19)
InChIKeyCHYQXDFAYNTDIC-UHFFFAOYSA-N
XLogP2.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3,3-diphenylpropanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3,3-diphenylpropanoate (CID 2419502) is (2-amino-2-oxoethyl) 3,3-diphenylpropanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3,3-diphenylpropanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3,3-diphenylpropanoate is NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-amino-2-oxoethyl) 3,3-diphenylpropanoate?
The InChIKey is CHYQXDFAYNTDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c18-16(19)12-21-17(20)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19).
What are the key properties of (2-amino-2-oxoethyl) 3,3-diphenylpropanoate?
(2-amino-2-oxoethyl) 3,3-diphenylpropanoate has a molecular weight of 283.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3,3-diphenylpropanoate is sourced from PubChem (CID 2419502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).