(2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid

C17H20NO3P — CID 932161

IUPAC(2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid
SMILESC[C@@](N)(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C17H20NO3P/c1-17(18,16(19)20)12-13-22(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyBHIDKKUEQPKAJP-QGZVFWFLSA-N
MW317.33 g/mol
LogP2.19
Rot. Bonds6

About (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid

(2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid (PubChem CID 932161) has the molecular formula C17H20NO3P and a molecular weight of 317.33 g/mol. Its IUPAC name is (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid
PubChem CID932161
Molecular FormulaC17H20NO3P
Molecular Weight317.33 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid
SMILESC[C@@](N)(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C17H20NO3P/c1-17(18,16(19)20)12-13-22(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyBHIDKKUEQPKAJP-QGZVFWFLSA-N
XLogP2.19
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid?
The IUPAC name of (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid (CID 932161) is (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid?
The canonical SMILES for (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid is C[C@@](N)(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid?
The InChIKey is BHIDKKUEQPKAJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20NO3P/c1-17(18,16(19)20)12-13-22(21,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12-13,18H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid?
(2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid has a molecular weight of 317.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-diphenylphosphoryl-2-methylbutanoic acid is sourced from PubChem (CID 932161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).