2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)

C21H37N3O5V — CID 153490401

IUPAC2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)
SMILESCCCCCC[NH-].CCCCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2]
InChIInChI=1S/C9H9NO4.2C6H14N.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;2*1-2-3-4-5-6-7;;/h1-3H,4-5H2,(H,11,12)(H,13,14);2*7H,2-6H2,1H3;;/q;2*-1;;+2
InChIKeyBLYASTHAGASGOY-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.45
Rot. Bonds12

About 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)

2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+) (PubChem CID 153490401) has the molecular formula C21H37N3O5V and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+).

Molecular Properties

Compound Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)
PubChem CID153490401
Molecular FormulaC21H37N3O5V
Molecular Weight462.49 g/mol
Exact Mass462.22
IUPAC Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)
SMILESCCCCCC[NH-].CCCCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2]
InChIInChI=1S/C9H9NO4.2C6H14N.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;2*1-2-3-4-5-6-7;;/h1-3H,4-5H2,(H,11,12)(H,13,14);2*7H,2-6H2,1H3;;/q;2*-1;;+2
InChIKeyBLYASTHAGASGOY-UHFFFAOYSA-N
XLogP5.45
TPSA152.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))
CID 158427549
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
CID 153490406
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
CID 153490422
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
CID 84765522
2,6-didodecylpyridine
CID 90943274
2,6-dipentylpyridine
CID 58097448
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
decanoic acid;pyrene
CID 87535233
2-(6-ethynyl-2-pyridinyl)acetic acid
CID 74892598
pyrene;tetradecanoic acid
CID 161467828
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252

Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)?
The IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+) (CID 153490401) is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+).
What is the SMILES notation for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)?
The canonical SMILES for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+) is CCCCCC[NH-].CCCCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2].
What is the InChIKey of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)?
The InChIKey is BLYASTHAGASGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4.2C6H14N.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;2*1-2-3-4-5-6-7;;/h1-3H,4-5H2,(H,11,12)(H,13,14);2*7H,2-6H2,1H3;;/q;2*-1;;+2.
What are the key properties of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)?
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+) has a molecular weight of 462.49 g/mol, XLogP of 5.45, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+) is sourced from PubChem (CID 153490401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).