[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate

C19H21NO3 — CID 10990574

IUPAC[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(17-11-7-4-8-12-17)23-19(22)18(20-15(2)21)13-16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyBICNADDLKDQPJG-KSSFIOAISA-N
MW311.38 g/mol
LogP3.04
Rot. Bonds6

About [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate

[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate (PubChem CID 10990574) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate
PubChem CID10990574
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(17-11-7-4-8-12-17)23-19(22)18(20-15(2)21)13-16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3,(H,20,21)/t14-,18-/m0/s1
InChIKeyBICNADDLKDQPJG-KSSFIOAISA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate 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] (2S)-2-acetamido-3-phenylpropanoate?
The IUPAC name of [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate (CID 10990574) is [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate.
What is the SMILES notation for [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate?
The canonical SMILES for [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate is CC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)c1ccccc1.
What is the InChIKey of [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate?
The InChIKey is BICNADDLKDQPJG-KSSFIOAISA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(17-11-7-4-8-12-17)23-19(22)18(20-15(2)21)13-16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3,(H,20,21)/t14-,18-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate?
[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate has a molecular weight of 311.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 10990574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).