carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)

C9H17NO3V — CID 59610445

IUPACcarbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)
SMILESCCCC(CN(C)[C-]=O)C(=O)O.[CH3-].[V+2]
InChIInChI=1S/C8H14NO3.CH3.V/c1-3-4-7(8(11)12)5-9(2)6-10;;/h7H,3-5H2,1-2H3,(H,11,12);1H3;/q2*-1;+2
InChIKeyNEZIKXBXYCDPQG-UHFFFAOYSA-N
MW238.18 g/mol
LogP0.93
Rot. Bonds6

About carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)

carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+) (PubChem CID 59610445) has the molecular formula C9H17NO3V and a molecular weight of 238.18 g/mol. Its IUPAC name is carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+).

Molecular Properties

Compound Namecarbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)
PubChem CID59610445
Molecular FormulaC9H17NO3V
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Namecarbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)
SMILESCCCC(CN(C)[C-]=O)C(=O)O.[CH3-].[V+2]
InChIInChI=1S/C8H14NO3.CH3.V/c1-3-4-7(8(11)12)5-9(2)6-10;;/h7H,3-5H2,1-2H3,(H,11,12);1H3;/q2*-1;+2
InChIKeyNEZIKXBXYCDPQG-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)?
The IUPAC name of carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+) (CID 59610445) is carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+).
What is the SMILES notation for carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)?
The canonical SMILES for carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+) is CCCC(CN(C)[C-]=O)C(=O)O.[CH3-].[V+2].
What is the InChIKey of carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)?
The InChIKey is NEZIKXBXYCDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3.CH3.V/c1-3-4-7(8(11)12)5-9(2)6-10;;/h7H,3-5H2,1-2H3,(H,11,12);1H3;/q2*-1;+2.
What are the key properties of carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+)?
carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+) has a molecular weight of 238.18 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[[methyl(oxomethyl)amino]methyl]pentanoic acid;vanadium(2+) is sourced from PubChem (CID 59610445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).