[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid

C9H12NO4P — CID 174823830

IUPAC[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
SMILESC[C@H](N)C(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-7(10)9(11)14-15(12,13)8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyUVJWNPOTPHWBJH-ZETCQYMHSA-N
MW229.17 g/mol
LogP0.39
Rot. Bonds3

About [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid

[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid (PubChem CID 174823830) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid.

Molecular Properties

Compound Name[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
PubChem CID174823830
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
SMILESC[C@H](N)C(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-7(10)9(11)14-15(12,13)8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyUVJWNPOTPHWBJH-ZETCQYMHSA-N
XLogP0.39
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
but-2-enoyloxy(phenyl)phosphinic acid
CID 151893149
[amino(phenylmethoxy)phosphoryl] (2S)-2-aminopropanoate
CID 174953315
pentanoyloxy(phenyl)phosphinic acid
CID 174749674
2-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 69037711
phenyl(trichloromethoxy)phosphinic acid
CID 88763731
benzyl (2S)-2-aminopropanoate
CID 726858
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
2-aminoethoxy(phenyl)phosphinic acid
CID 23257414
diphenylphosphoryl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
CID 70142216
phenylphosphonamidic acid
CID 18388605
1,1'-biphenyl;phosphono 2-methylbutanoate
CID 174600883

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid?
The IUPAC name of [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid (CID 174823830) is [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid.
What is the SMILES notation for [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid?
The canonical SMILES for [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid is C[C@H](N)C(=O)OP(=O)(O)c1ccccc1.
What is the InChIKey of [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid?
The InChIKey is UVJWNPOTPHWBJH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12NO4P/c1-7(10)9(11)14-15(12,13)8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid?
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid has a molecular weight of 229.17 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid is sourced from PubChem (CID 174823830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).