molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten

C10H18NO3W- — CID 157367421

IUPACmolecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten
SMILESO=[C-]N1CCC(CCCC(=O)O)CC1.[H][H].[W]
InChIInChI=1S/C10H16NO3.W.H2/c12-8-11-6-4-9(5-7-11)2-1-3-10(13)14;;/h9H,1-7H2,(H,13,14);;1H/q-1;;
InChIKeyPBNVXKYWRDRNOA-UHFFFAOYSA-N
MW384.10 g/mol
LogP1.26
Rot. Bonds5

About molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten

molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten (PubChem CID 157367421) has the molecular formula C10H18NO3W- and a molecular weight of 384.10 g/mol. Its IUPAC name is molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten.

Molecular Properties

Compound Namemolecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten
PubChem CID157367421
Molecular FormulaC10H18NO3W-
Molecular Weight384.10 g/mol
Exact Mass384.08
IUPAC Namemolecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten
SMILESO=[C-]N1CCC(CCCC(=O)O)CC1.[H][H].[W]
InChIInChI=1S/C10H16NO3.W.H2/c12-8-11-6-4-9(5-7-11)2-1-3-10(13)14;;/h9H,1-7H2,(H,13,14);;1H/q-1;;
InChIKeyPBNVXKYWRDRNOA-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.10
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten?
The IUPAC name of molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten (CID 157367421) is molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten.
What is the SMILES notation for molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten?
The canonical SMILES for molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten is O=[C-]N1CCC(CCCC(=O)O)CC1.[H][H].[W].
What is the InChIKey of molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten?
The InChIKey is PBNVXKYWRDRNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3.W.H2/c12-8-11-6-4-9(5-7-11)2-1-3-10(13)14;;/h9H,1-7H2,(H,13,14);;1H/q-1;;.
What are the key properties of molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten?
molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten has a molecular weight of 384.10 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4-[1-(oxomethyl)piperidin-4-yl]butanoic acid;tungsten is sourced from PubChem (CID 157367421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).