[(1S)-1-phenylethyl] 2-benzamidoacetate

C17H17NO3 — CID 90680479

IUPAC[(1S)-1-phenylethyl] 2-benzamidoacetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(14-8-4-2-5-9-14)21-16(19)12-18-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyYMCZSWXHJASXSK-ZDUSSCGKSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds5

About [(1S)-1-phenylethyl] 2-benzamidoacetate

[(1S)-1-phenylethyl] 2-benzamidoacetate (PubChem CID 90680479) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] 2-benzamidoacetate
PubChem CID90680479
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[(1S)-1-phenylethyl] 2-benzamidoacetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-13(14-8-4-2-5-9-14)21-16(19)12-18-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeyYMCZSWXHJASXSK-ZDUSSCGKSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-phenylethyl] 2-benzamidoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl] 2-benzamidoacetate?
The IUPAC name of [(1S)-1-phenylethyl] 2-benzamidoacetate (CID 90680479) is [(1S)-1-phenylethyl] 2-benzamidoacetate.
What is the SMILES notation for [(1S)-1-phenylethyl] 2-benzamidoacetate?
The canonical SMILES for [(1S)-1-phenylethyl] 2-benzamidoacetate is C[C@H](OC(=O)CNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] 2-benzamidoacetate?
The InChIKey is YMCZSWXHJASXSK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(14-8-4-2-5-9-14)21-16(19)12-18-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] 2-benzamidoacetate?
[(1S)-1-phenylethyl] 2-benzamidoacetate has a molecular weight of 283.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] 2-benzamidoacetate is sourced from PubChem (CID 90680479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).