[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid

C9H16N2O6P2 — CID 15290103

IUPAC[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
SMILESO=P(O)(O)CN(CCc1ccccn1)CP(=O)(O)O
InChIInChI=1S/C9H16N2O6P2/c12-18(13,14)7-11(8-19(15,16)17)6-4-9-3-1-2-5-10-9/h1-3,5H,4,6-8H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyOLVJNYXCGDNQHZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP0.20
Rot. Bonds7

About [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid

[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid (PubChem CID 15290103) has the molecular formula C9H16N2O6P2 and a molecular weight of 310.18 g/mol. Its IUPAC name is [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
PubChem CID15290103
Molecular FormulaC9H16N2O6P2
Molecular Weight310.18 g/mol
Exact Mass310.05
IUPAC Name[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
SMILESO=P(O)(O)CN(CCc1ccccn1)CP(=O)(O)O
InChIInChI=1S/C9H16N2O6P2/c12-18(13,14)7-11(8-19(15,16)17)6-4-9-3-1-2-5-10-9/h1-3,5H,4,6-8H2,(H2,12,13,14)(H2,15,16,17)
InChIKeyOLVJNYXCGDNQHZ-UHFFFAOYSA-N
XLogP0.20
TPSA131.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
piperidin-1-ium-1-ylmethyl(2-pyridin-2-ylethyl)phosphinic acid
CID 4217393
[[bis(pyridin-2-ylmethyl)amino]methyl-hydroxyphosphoryl]methyl-hydroxy-oxophosphanium
CID 139178486
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-(dimethylamino)ethanol;ethane;2-pyridin-2-ylethanol
CID 168995371
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021

Frequently Asked Questions

What is the IUPAC name of [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid?
The IUPAC name of [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid (CID 15290103) is [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid.
What is the SMILES notation for [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid?
The canonical SMILES for [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid is O=P(O)(O)CN(CCc1ccccn1)CP(=O)(O)O.
What is the InChIKey of [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid?
The InChIKey is OLVJNYXCGDNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6P2/c12-18(13,14)7-11(8-19(15,16)17)6-4-9-3-1-2-5-10-9/h1-3,5H,4,6-8H2,(H2,12,13,14)(H2,15,16,17).
What are the key properties of [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid?
[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid has a molecular weight of 310.18 g/mol, XLogP of 0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid is sourced from PubChem (CID 15290103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).