[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium

C8H11NO2P+ — CID 131079563

IUPAC[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium
SMILESC[C@](N)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C8H10NO2P/c1-8(9,12(10)11)7-5-3-2-4-6-7/h2-6H,9H2,1H3/p+1/t8-/m1/s1
InChIKeyACSDJBQCSCLJHG-MRVPVSSYSA-O
MW184.16 g/mol
LogP1.55
Rot. Bonds2

About [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium

[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium (PubChem CID 131079563) has the molecular formula C8H11NO2P+ and a molecular weight of 184.16 g/mol. Its IUPAC name is [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium
PubChem CID131079563
Molecular FormulaC8H11NO2P+
Molecular Weight184.16 g/mol
Exact Mass184.05
IUPAC Name[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium
SMILESC[C@](N)(c1ccccc1)[P+](=O)O
InChIInChI=1S/C8H10NO2P/c1-8(9,12(10)11)7-5-3-2-4-6-7/h2-6H,9H2,1H3/p+1/t8-/m1/s1
InChIKeyACSDJBQCSCLJHG-MRVPVSSYSA-O
XLogP1.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenylethyl-hydroxy-oxophosphanium
CID 174317927
1,1-diphenylethanamine
CID 12761172
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
CID 70150123
methyl-oxo-(2-phenylpropan-2-yl)phosphanium
CID 89036832
(1R)-1-iodo-1-phenylethanamine
CID 68727841
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592
3-amino-3-phenylpentane-2,4-dione
CID 70119036
benzyl 2-amino-2-phenylpropanoate
CID 54322564
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium?
The IUPAC name of [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium (CID 131079563) is [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium?
The canonical SMILES for [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium is C[C@](N)(c1ccccc1)[P+](=O)O.
What is the InChIKey of [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium?
The InChIKey is ACSDJBQCSCLJHG-MRVPVSSYSA-O. The full InChI is InChI=1S/C8H10NO2P/c1-8(9,12(10)11)7-5-3-2-4-6-7/h2-6H,9H2,1H3/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium?
[(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium has a molecular weight of 184.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-1-phenylethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 131079563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).