[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid

C9H12NO3P — CID 71653547

IUPAC[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
SMILESN[C@H](/C=C/c1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H12NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-7,9H,10H2,(H2,11,12,13)/b7-6+/t9-/m0/s1
InChIKeyGBKOYBLDFDFKTA-UCUJLANTSA-N
MW213.17 g/mol
LogP1.16
Rot. Bonds3

About [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid

[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid (PubChem CID 71653547) has the molecular formula C9H12NO3P and a molecular weight of 213.17 g/mol. Its IUPAC name is [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
PubChem CID71653547
Molecular FormulaC9H12NO3P
Molecular Weight213.17 g/mol
Exact Mass213.06
IUPAC Name[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
SMILESN[C@H](/C=C/c1ccccc1)P(=O)(O)O
InChIInChI=1S/C9H12NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-7,9H,10H2,(H2,11,12,13)/b7-6+/t9-/m0/s1
InChIKeyGBKOYBLDFDFKTA-UCUJLANTSA-N
XLogP1.16
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
CID 11106709
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
CID 175349156
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
CID 18957413
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
3-phenylprop-2-enoyloxymethylphosphonic acid
CID 123586829
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
lithium hydroxy(2-phenylethenyl)phosphinate
CID 162120462
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
[(E)-4-(4-phenylphenyl)-1-phosphonobut-3-enyl]phosphonic acid
CID 19814142
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815

Frequently Asked Questions

What is the IUPAC name of [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid?
The IUPAC name of [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid (CID 71653547) is [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid.
What is the SMILES notation for [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid?
The canonical SMILES for [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid is N[C@H](/C=C/c1ccccc1)P(=O)(O)O.
What is the InChIKey of [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid?
The InChIKey is GBKOYBLDFDFKTA-UCUJLANTSA-N. The full InChI is InChI=1S/C9H12NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-7,9H,10H2,(H2,11,12,13)/b7-6+/t9-/m0/s1.
What are the key properties of [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid?
[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid has a molecular weight of 213.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid is sourced from PubChem (CID 71653547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).