[(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate

C18H20N2O3 — CID 54573768

IUPAC[(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)23-18(22)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-20H2/t15-,16-/m0/s1
InChIKeyZZDHJZADYBVFCP-HOTGVXAUSA-N
MW312.37 g/mol
LogP1.20
Rot. Bonds6

About [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate

[(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate (PubChem CID 54573768) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name[(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate
PubChem CID54573768
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)23-18(22)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-20H2/t15-,16-/m0/s1
InChIKeyZZDHJZADYBVFCP-HOTGVXAUSA-N
XLogP1.20
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate (CID 54573768) is [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate is N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate?
The InChIKey is ZZDHJZADYBVFCP-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)23-18(22)16(20)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19-20H2/t15-,16-/m0/s1.
What are the key properties of [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate?
[(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate has a molecular weight of 312.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-phenylpropanoyl] (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 54573768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).