2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide

C12H18N2O6V- — CID 153490422

IUPAC2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
SMILESCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V]O
InChIInChI=1S/C9H9NO4.C3H8N.H2O.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;1-2-3-4;;;/h1-3H,4-5H2,(H,11,12)(H,13,14);4H,2-3H2,1H3;1H2;;/q;-1;;;+1/p-1
InChIKeyZQMDSVYACURJPG-UHFFFAOYSA-M
MW337.23 g/mol
LogP1.11
Rot. Bonds5

About 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide

2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide (PubChem CID 153490422) has the molecular formula C12H18N2O6V- and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide.

Molecular Properties

Compound Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
PubChem CID153490422
Molecular FormulaC12H18N2O6V-
Molecular Weight337.23 g/mol
Exact Mass337.06
IUPAC Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
SMILESCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V]O
InChIInChI=1S/C9H9NO4.C3H8N.H2O.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;1-2-3-4;;;/h1-3H,4-5H2,(H,11,12)(H,13,14);4H,2-3H2,1H3;1H2;;/q;-1;;;+1/p-1
InChIKeyZQMDSVYACURJPG-UHFFFAOYSA-M
XLogP1.11
TPSA148.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide?
The IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide (CID 153490422) is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide.
What is the SMILES notation for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide?
The canonical SMILES for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide is CCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V]O.
What is the InChIKey of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide?
The InChIKey is ZQMDSVYACURJPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO4.C3H8N.H2O.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;1-2-3-4;;;/h1-3H,4-5H2,(H,11,12)(H,13,14);4H,2-3H2,1H3;1H2;;/q;-1;;;+1/p-1.
What are the key properties of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide?
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide has a molecular weight of 337.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide is sourced from PubChem (CID 153490422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).