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

C15H25N3O5V — CID 153490406

IUPAC2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
SMILESCCC[NH-].CCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2]
InChIInChI=1S/C9H9NO4.2C3H8N.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;2*1-2-3-4;;/h1-3H,4-5H2,(H,11,12)(H,13,14);2*4H,2-3H2,1H3;;/q;2*-1;;+2
InChIKeyQBHIHHMMJHOQMY-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.11
Rot. Bonds6

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

2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide (PubChem CID 153490406) has the molecular formula C15H25N3O5V and a molecular weight of 378.33 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide.

Molecular Properties

Compound Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
PubChem CID153490406
Molecular FormulaC15H25N3O5V
Molecular Weight378.33 g/mol
Exact Mass378.12
IUPAC Name2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
SMILESCCC[NH-].CCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2]
InChIInChI=1S/C9H9NO4.2C3H8N.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;2*1-2-3-4;;/h1-3H,4-5H2,(H,11,12)(H,13,14);2*4H,2-3H2,1H3;;/q;2*-1;;+2
InChIKeyQBHIHHMMJHOQMY-UHFFFAOYSA-N
XLogP3.11
TPSA152.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide?
The IUPAC name of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide (CID 153490406) is 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide.
What is the SMILES notation for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide?
The canonical SMILES for 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide is CCC[NH-].CCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2].
What is the InChIKey of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide?
The InChIKey is QBHIHHMMJHOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4.2C3H8N.O.V/c11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;2*1-2-3-4;;/h1-3H,4-5H2,(H,11,12)(H,13,14);2*4H,2-3H2,1H3;;/q;2*-1;;+2.
What are the key properties of 2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide?
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide has a molecular weight of 378.33 g/mol, XLogP of 3.11, 6 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;oxovanadium(2+);propylazanide is sourced from PubChem (CID 153490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).