[(1S)-1-amino-2-phenylethyl]phosphonous acid

C8H12NO2P — CID 56977439

IUPAC[(1S)-1-amino-2-phenylethyl]phosphonous acid
SMILESN[C@H](Cc1ccccc1)P(O)O
InChIInChI=1S/C8H12NO2P/c9-8(12(10)11)6-7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m0/s1
InChIKeyYLGSOGDXTBVZMF-QMMMGPOBSA-N
MW185.16 g/mol
LogP0.81
Rot. Bonds3

About [(1S)-1-amino-2-phenylethyl]phosphonous acid

[(1S)-1-amino-2-phenylethyl]phosphonous acid (PubChem CID 56977439) has the molecular formula C8H12NO2P and a molecular weight of 185.16 g/mol. Its IUPAC name is [(1S)-1-amino-2-phenylethyl]phosphonous acid.

Molecular Properties

Compound Name[(1S)-1-amino-2-phenylethyl]phosphonous acid
PubChem CID56977439
Molecular FormulaC8H12NO2P
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name[(1S)-1-amino-2-phenylethyl]phosphonous acid
SMILESN[C@H](Cc1ccccc1)P(O)O
InChIInChI=1S/C8H12NO2P/c9-8(12(10)11)6-7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m0/s1
InChIKeyYLGSOGDXTBVZMF-QMMMGPOBSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
(1R)-1-bromo-2-phenylethanamine
CID 164702405
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
[(1R)-1-amino-2-phenylethyl]-trihydroxyboranuide
CID 140963693
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
CID 22811613
azane;1-phenylpropan-2-amine
CID 67350534
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-amino-2-phenylethyl]phosphonous acid?
The IUPAC name of [(1S)-1-amino-2-phenylethyl]phosphonous acid (CID 56977439) is [(1S)-1-amino-2-phenylethyl]phosphonous acid.
What is the SMILES notation for [(1S)-1-amino-2-phenylethyl]phosphonous acid?
The canonical SMILES for [(1S)-1-amino-2-phenylethyl]phosphonous acid is N[C@H](Cc1ccccc1)P(O)O.
What is the InChIKey of [(1S)-1-amino-2-phenylethyl]phosphonous acid?
The InChIKey is YLGSOGDXTBVZMF-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12NO2P/c9-8(12(10)11)6-7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2/t8-/m0/s1.
What are the key properties of [(1S)-1-amino-2-phenylethyl]phosphonous acid?
[(1S)-1-amino-2-phenylethyl]phosphonous acid has a molecular weight of 185.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-amino-2-phenylethyl]phosphonous acid is sourced from PubChem (CID 56977439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).