azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium

C15H22N2O2Y-2 — CID 58315520

IUPACazanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc[c-]cc1.[NH2-].[Y]
InChIInChI=1S/C15H20NO2.H2N.Y/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12;;/h5-6,8-9,13H,7,10-11H2,1-3H3;1H2;/q2*-1;
InChIKeyBGOMJSKYEOPHDQ-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.27
Rot. Bonds1

About azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium

azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium (PubChem CID 58315520) has the molecular formula C15H22N2O2Y-2 and a molecular weight of 351.26 g/mol. Its IUPAC name is azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium.

Molecular Properties

Compound Nameazanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium
PubChem CID58315520
Molecular FormulaC15H22N2O2Y-2
Molecular Weight351.26 g/mol
Exact Mass351.08
IUPAC Nameazanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium
SMILESCC(C)(C)OC(=O)N1CCCC1c1cc[c-]cc1.[NH2-].[Y]
InChIInChI=1S/C15H20NO2.H2N.Y/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12;;/h5-6,8-9,13H,7,10-11H2,1-3H3;1H2;/q2*-1;
InChIKeyBGOMJSKYEOPHDQ-UHFFFAOYSA-N
XLogP4.27
TPSA63.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium?
The IUPAC name of azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium (CID 58315520) is azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium.
What is the SMILES notation for azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium?
The canonical SMILES for azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium is CC(C)(C)OC(=O)N1CCCC1c1cc[c-]cc1.[NH2-].[Y].
What is the InChIKey of azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium?
The InChIKey is BGOMJSKYEOPHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO2.H2N.Y/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12;;/h5-6,8-9,13H,7,10-11H2,1-3H3;1H2;/q2*-1;.
What are the key properties of azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium?
azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium has a molecular weight of 351.26 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;tert-butyl 2-phenylpyrrolidine-1-carboxylate;yttrium is sourced from PubChem (CID 58315520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).