methyl 6-amino-2-methanidylhexanoate;vanadium

C8H16NO2V- — CID 59493727

IUPACmethyl 6-amino-2-methanidylhexanoate;vanadium
SMILES[CH2-]C(CCCCN)C(=O)OC.[V]
InChIInChI=1S/C8H16NO2.V/c1-7(8(10)11-2)5-3-4-6-9;/h7H,1,3-6,9H2,2H3;/q-1;
InChIKeyDLNWXPQSNGVWCV-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.74
Rot. Bonds5

About methyl 6-amino-2-methanidylhexanoate;vanadium

methyl 6-amino-2-methanidylhexanoate;vanadium (PubChem CID 59493727) has the molecular formula C8H16NO2V- and a molecular weight of 209.16 g/mol. Its IUPAC name is methyl 6-amino-2-methanidylhexanoate;vanadium.

Molecular Properties

Compound Namemethyl 6-amino-2-methanidylhexanoate;vanadium
PubChem CID59493727
Molecular FormulaC8H16NO2V-
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Namemethyl 6-amino-2-methanidylhexanoate;vanadium
SMILES[CH2-]C(CCCCN)C(=O)OC.[V]
InChIInChI=1S/C8H16NO2.V/c1-7(8(10)11-2)5-3-4-6-9;/h7H,1,3-6,9H2,2H3;/q-1;
InChIKeyDLNWXPQSNGVWCV-UHFFFAOYSA-N
XLogP0.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-methanidylhexanoate;vanadium?
The IUPAC name of methyl 6-amino-2-methanidylhexanoate;vanadium (CID 59493727) is methyl 6-amino-2-methanidylhexanoate;vanadium.
What is the SMILES notation for methyl 6-amino-2-methanidylhexanoate;vanadium?
The canonical SMILES for methyl 6-amino-2-methanidylhexanoate;vanadium is [CH2-]C(CCCCN)C(=O)OC.[V].
What is the InChIKey of methyl 6-amino-2-methanidylhexanoate;vanadium?
The InChIKey is DLNWXPQSNGVWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2.V/c1-7(8(10)11-2)5-3-4-6-9;/h7H,1,3-6,9H2,2H3;/q-1;.
What are the key properties of methyl 6-amino-2-methanidylhexanoate;vanadium?
methyl 6-amino-2-methanidylhexanoate;vanadium has a molecular weight of 209.16 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-methanidylhexanoate;vanadium is sourced from PubChem (CID 59493727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).