ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate

C19H24NO3P — CID 3738247

IUPACethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO3P/c1-3-23-18(21)19(2,20)14-15-24(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14-15,20H2,1-2H3
InChIKeyXSNFMVVBBHTHRD-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.67
Rot. Bonds7

About ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate

ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate (PubChem CID 3738247) has the molecular formula C19H24NO3P and a molecular weight of 345.38 g/mol. Its IUPAC name is ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate
PubChem CID3738247
Molecular FormulaC19H24NO3P
Molecular Weight345.38 g/mol
Exact Mass345.15
IUPAC Nameethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NO3P/c1-3-23-18(21)19(2,20)14-15-24(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14-15,20H2,1-2H3
InChIKeyXSNFMVVBBHTHRD-UHFFFAOYSA-N
XLogP2.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.67
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 ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate?
The IUPAC name of ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate (CID 3738247) is ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate.
What is the SMILES notation for ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate?
The canonical SMILES for ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate is CCOC(=O)C(C)(N)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate?
The InChIKey is XSNFMVVBBHTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NO3P/c1-3-23-18(21)19(2,20)14-15-24(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,3,14-15,20H2,1-2H3.
What are the key properties of ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate?
ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate has a molecular weight of 345.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-diphenylphosphoryl-2-methylbutanoate is sourced from PubChem (CID 3738247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).