3-(4-iminophosphanyloxyphenyl)propanoic acid

C9H10NO3P — CID 90380504

IUPAC3-(4-iminophosphanyloxyphenyl)propanoic acid
SMILES[H]/N=P/Oc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C9H10NO3P/c10-14-13-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyPESURUOOFHVAME-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.71
Rot. Bonds5

About 3-(4-iminophosphanyloxyphenyl)propanoic acid

3-(4-iminophosphanyloxyphenyl)propanoic acid (PubChem CID 90380504) has the molecular formula C9H10NO3P and a molecular weight of 211.16 g/mol. Its IUPAC name is 3-(4-iminophosphanyloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-iminophosphanyloxyphenyl)propanoic acid
PubChem CID90380504
Molecular FormulaC9H10NO3P
Molecular Weight211.16 g/mol
Exact Mass211.04
IUPAC Name3-(4-iminophosphanyloxyphenyl)propanoic acid
SMILES[H]/N=P/Oc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C9H10NO3P/c10-14-13-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyPESURUOOFHVAME-UHFFFAOYSA-N
XLogP2.71
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
CID 177168298
CID 177168298
lanthanum;3-phenylpropanoic acid
CID 174887955
3-[4-(4-cyanophenoxy)phenyl]propanoic acid
CID 116996810
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
CID 11659982
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857
3-[4-(trifluoromethoxy)phenyl]propanenitrile;3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 162216346
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-(2-carboxyethyl)phenolate
CID 101364536
3-[4-(2,3-dimethylbut-2-enoxy)phenyl]propanoic acid
CID 166628127

Frequently Asked Questions

What is the IUPAC name of 3-(4-iminophosphanyloxyphenyl)propanoic acid?
The IUPAC name of 3-(4-iminophosphanyloxyphenyl)propanoic acid (CID 90380504) is 3-(4-iminophosphanyloxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-iminophosphanyloxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-iminophosphanyloxyphenyl)propanoic acid is [H]/N=P/Oc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-iminophosphanyloxyphenyl)propanoic acid?
The InChIKey is PESURUOOFHVAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO3P/c10-14-13-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12).
What are the key properties of 3-(4-iminophosphanyloxyphenyl)propanoic acid?
3-(4-iminophosphanyloxyphenyl)propanoic acid has a molecular weight of 211.16 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iminophosphanyloxyphenyl)propanoic acid is sourced from PubChem (CID 90380504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).