5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid

C25H30NO2P — CID 87282982

IUPAC5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid
SMILESCN(C)P(CCCCC(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30NO2P/c1-26(2)29(21-13-12-20-25(27)28,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,12-13,20-21H2,1-2H3,(H,27,28)
InChIKeyXRJBKPWRWGKHTL-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.25
Rot. Bonds9

About 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid

5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid (PubChem CID 87282982) has the molecular formula C25H30NO2P and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid.

Molecular Properties

Compound Name5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid
PubChem CID87282982
Molecular FormulaC25H30NO2P
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid
SMILESCN(C)P(CCCCC(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30NO2P/c1-26(2)29(21-13-12-20-25(27)28,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,12-13,20-21H2,1-2H3,(H,27,28)
InChIKeyXRJBKPWRWGKHTL-UHFFFAOYSA-N
XLogP4.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
pentanedioic acid;toluene
CID 159822689
benzenethiol;hexanedioic acid
CID 70583090
5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
CID 115219153
1-chloro-4-phenylbenzene;6-(dimethylamino)hexanoic acid
CID 67597280
hexanoic acid;methyl-(2-methylphenyl)carbamic acid
CID 174982557
decanedioic acid;phthalic acid
CID 67564124
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
5-(dimethylamino)-5-phenylhexan-2-one
CID 140945265
calcium;hydride;octadecanoic acid;phenol
CID 173411979

Frequently Asked Questions

What is the IUPAC name of 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid?
The IUPAC name of 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid (CID 87282982) is 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid.
What is the SMILES notation for 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid?
The canonical SMILES for 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid is CN(C)P(CCCCC(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid?
The InChIKey is XRJBKPWRWGKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30NO2P/c1-26(2)29(21-13-12-20-25(27)28,22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,12-13,20-21H2,1-2H3,(H,27,28).
What are the key properties of 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid?
5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid has a molecular weight of 407.49 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethylamino(triphenyl)-λ5-phosphanyl]pentanoic acid is sourced from PubChem (CID 87282982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).