phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate

C18H20N2O3P2 — CID 58940069

IUPACphosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate
SMILESO=C(CCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O/P=N/P
InChIInChI=1S/C18H20N2O3P2/c21-17(12-11-14-7-3-1-4-8-14)19-16(18(22)23-25-20-24)13-15-9-5-2-6-10-15/h1-10,16H,11-13,24H2,(H,19,21)/t16-/m1/s1
InChIKeyLQGDJIVIJPIXQD-MRXNPFEDSA-N
MW374.32 g/mol
LogP3.72
Rot. Bonds8

About phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate

phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate (PubChem CID 58940069) has the molecular formula C18H20N2O3P2 and a molecular weight of 374.32 g/mol. Its IUPAC name is phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate.

Molecular Properties

Compound Namephosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate
PubChem CID58940069
Molecular FormulaC18H20N2O3P2
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC Namephosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate
SMILESO=C(CCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O/P=N/P
InChIInChI=1S/C18H20N2O3P2/c21-17(12-11-14-7-3-1-4-8-14)19-16(18(22)23-25-20-24)13-15-9-5-2-6-10-15/h1-10,16H,11-13,24H2,(H,19,21)/t16-/m1/s1
InChIKeyLQGDJIVIJPIXQD-MRXNPFEDSA-N
XLogP3.72
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
The IUPAC name of phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate (CID 58940069) is phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate.
What is the SMILES notation for phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
The canonical SMILES for phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate is O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O/P=N/P.
What is the InChIKey of phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
The InChIKey is LQGDJIVIJPIXQD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O3P2/c21-17(12-11-14-7-3-1-4-8-14)19-16(18(22)23-25-20-24)13-15-9-5-2-6-10-15/h1-10,16H,11-13,24H2,(H,19,21)/t16-/m1/s1.
What are the key properties of phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate?
phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate has a molecular weight of 374.32 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyliminophosphanyl (2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoate is sourced from PubChem (CID 58940069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).