2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid

C26H46NO3P — CID 68745469

IUPAC2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid
SMILESCCCCP(CCCC)(CCCC)(CCCC)c1ccccc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C26H46NO3P/c1-6-10-18-31(19-11-7-2,20-12-8-3,21-13-9-4)24-17-15-14-16-23(24)26(30)27(5)22-25(28)29/h14-17H,6-13,18-22H2,1-5H3,(H,28,29)
InChIKeyWAJNPGVYLONJSH-UHFFFAOYSA-N
MW451.63 g/mol
LogP6.22
Rot. Bonds16

About 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid

2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid (PubChem CID 68745469) has the molecular formula C26H46NO3P and a molecular weight of 451.63 g/mol. Its IUPAC name is 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid
PubChem CID68745469
Molecular FormulaC26H46NO3P
Molecular Weight451.63 g/mol
Exact Mass451.32
IUPAC Name2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid
SMILESCCCCP(CCCC)(CCCC)(CCCC)c1ccccc1C(=O)N(C)CC(=O)O
InChIInChI=1S/C26H46NO3P/c1-6-10-18-31(19-11-7-2,20-12-8-3,21-13-9-4)24-17-15-14-16-23(24)26(30)27(5)22-25(28)29/h14-17H,6-13,18-22H2,1-5H3,(H,28,29)
InChIKeyWAJNPGVYLONJSH-UHFFFAOYSA-N
XLogP6.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.63
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(tribromomethylsulfonyl)benzoyl]amino]acetic acid
CID 18717050
2-[[2-(difluoromethylsulfanyl)benzoyl]-methylamino]acetic acid
CID 43239805
2-[[2-(cyanomethyl)benzoyl]-methylamino]acetic acid
CID 82179366
2-[(3-fluoro-2-methylbenzoyl)-methylamino]acetic acid
CID 122107124
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2-[(1-butyl-3-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110498687
2-[methyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43241821
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
CID 104614064
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
2-[(2-amino-5-bromobenzoyl)-methylamino]acetic acid
CID 82547324

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid (CID 68745469) is 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid is CCCCP(CCCC)(CCCC)(CCCC)c1ccccc1C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid?
The InChIKey is WAJNPGVYLONJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46NO3P/c1-6-10-18-31(19-11-7-2,20-12-8-3,21-13-9-4)24-17-15-14-16-23(24)26(30)27(5)22-25(28)29/h14-17H,6-13,18-22H2,1-5H3,(H,28,29).
What are the key properties of 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid?
2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid has a molecular weight of 451.63 g/mol, XLogP of 6.22, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(tetrabutyl-λ5-phosphanyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 68745469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).