2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid

C11H15N2O6P — CID 18403144

IUPAC2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(=O)(O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N2O6P/c14-10(15)4-3-9(11(16)17)13-20(18,19)7-8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyHHXIKNDUYNZTHH-UHFFFAOYSA-N
MW302.22 g/mol
LogP0.67
Rot. Bonds8

About 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid

2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid (PubChem CID 18403144) has the molecular formula C11H15N2O6P and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid
PubChem CID18403144
Molecular FormulaC11H15N2O6P
Molecular Weight302.22 g/mol
Exact Mass302.07
IUPAC Name2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid
SMILESO=C(O)CCC(NP(=O)(O)Cc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N2O6P/c14-10(15)4-3-9(11(16)17)13-20(18,19)7-8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyHHXIKNDUYNZTHH-UHFFFAOYSA-N
XLogP0.67
TPSA136.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 50.67
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

2-[[hydroxy-[[3-(trifluoromethyl)phenyl]methyl]phosphoryl]amino]pentanedioic acid
CID 18472848
N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid
CID 151854036
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
2-[1-[hydroxy(pyridin-3-yl)phosphoryl]propyl]pentanedioic acid
CID 19357727
2-(1-pyridin-3-ylethylcarbamoylamino)pentanedioic acid
CID 61197134
CID 66868100
CID 66868100
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
2-[benzyl(hydroxy)phosphoryl]oxy-4-pyridin-3-ylbutanoic acid
CID 18472850
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
(2R)-5-amino-2-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830585

Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid?
The IUPAC name of 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid (CID 18403144) is 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid?
The canonical SMILES for 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid is O=C(O)CCC(NP(=O)(O)Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid?
The InChIKey is HHXIKNDUYNZTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O6P/c14-10(15)4-3-9(11(16)17)13-20(18,19)7-8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,14,15)(H,16,17)(H2,13,18,19).
What are the key properties of 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid?
2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid has a molecular weight of 302.22 g/mol, XLogP of 0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid is sourced from PubChem (CID 18403144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).