2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid

C22H22NO3P — CID 132557514

IUPAC2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid
SMILESCOc1ccccc1CNC(C(=O)O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO3P/c1-26-20-15-9-8-10-17(20)16-23-21(22(24)25)27(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,21,23H,16H2,1H3,(H,24,25)
InChIKeyWZWBIHFCWQVXBW-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.33
Rot. Bonds8

About 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid

2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid (PubChem CID 132557514) has the molecular formula C22H22NO3P and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid
PubChem CID132557514
Molecular FormulaC22H22NO3P
Molecular Weight379.40 g/mol
Exact Mass379.13
IUPAC Name2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid
SMILESCOc1ccccc1CNC(C(=O)O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO3P/c1-26-20-15-9-8-10-17(20)16-23-21(22(24)25)27(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,21,23H,16H2,1H3,(H,24,25)
InChIKeyWZWBIHFCWQVXBW-UHFFFAOYSA-N
XLogP3.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.33
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

(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421
methyl (2S,3S)-3-hydroxy-2-[(2-methoxyphenyl)methylamino]butanoate
CID 99791945
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 19363172

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid (CID 132557514) is 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid is COc1ccccc1CNC(C(=O)O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid?
The InChIKey is WZWBIHFCWQVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22NO3P/c1-26-20-15-9-8-10-17(20)16-23-21(22(24)25)27(18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,21,23H,16H2,1H3,(H,24,25).
What are the key properties of 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid?
2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid has a molecular weight of 379.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 132557514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).