2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid

C21H21N2O2P — CID 132557517

IUPAC2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid
SMILESO=C(O)C(NCCc1ccccn1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N2O2P/c24-21(25)20(23-16-14-17-9-7-8-15-22-17)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-13,15,20,23H,14,16H2,(H,24,25)
InChIKeyJKYLHOHULBXKQM-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.76
Rot. Bonds8

About 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid

2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid (PubChem CID 132557517) has the molecular formula C21H21N2O2P and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid.

Molecular Properties

Compound Name2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid
PubChem CID132557517
Molecular FormulaC21H21N2O2P
Molecular Weight364.39 g/mol
Exact Mass364.13
IUPAC Name2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid
SMILESO=C(O)C(NCCc1ccccn1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N2O2P/c24-21(25)20(23-16-14-17-9-7-8-15-22-17)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-13,15,20,23H,14,16H2,(H,24,25)
InChIKeyJKYLHOHULBXKQM-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.76
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

2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
CID 43083637
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
3-(4-bromophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid
CID 3814783
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid?
The IUPAC name of 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid (CID 132557517) is 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid.
What is the SMILES notation for 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid?
The canonical SMILES for 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid is O=C(O)C(NCCc1ccccn1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid?
The InChIKey is JKYLHOHULBXKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2O2P/c24-21(25)20(23-16-14-17-9-7-8-15-22-17)26(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-13,15,20,23H,14,16H2,(H,24,25).
What are the key properties of 2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid?
2-diphenylphosphanyl-2-(2-pyridin-2-ylethylamino)acetic acid has a molecular weight of 364.39 g/mol, XLogP of 2.76, 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-pyridin-2-ylethylamino)acetic acid is sourced from PubChem (CID 132557517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).