carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium

C16H30NO2Y- — CID 162113705

IUPACcarbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium
SMILESC[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C.[CH3-].[Y]
InChIInChI=1S/C15H27NO2.CH3.Y/c1-12(11-13-7-4-3-5-8-13)18-15(17)14-9-6-10-16(14)2;;/h12-14H,3-11H2,1-2H3;1H3;/q;-1;/t12-,14-;;/m0../s1
InChIKeyKVOKETSIANFTNN-FORAGAHYSA-N
MW357.33 g/mol
LogP3.43
Rot. Bonds4

About carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium

carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium (PubChem CID 162113705) has the molecular formula C16H30NO2Y- and a molecular weight of 357.33 g/mol. Its IUPAC name is carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium.

Molecular Properties

Compound Namecarbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium
PubChem CID162113705
Molecular FormulaC16H30NO2Y-
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Namecarbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium
SMILESC[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C.[CH3-].[Y]
InChIInChI=1S/C15H27NO2.CH3.Y/c1-12(11-13-7-4-3-5-8-13)18-15(17)14-9-6-10-16(14)2;;/h12-14H,3-11H2,1-2H3;1H3;/q;-1;/t12-,14-;;/m0../s1
InChIKeyKVOKETSIANFTNN-FORAGAHYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium?
The IUPAC name of carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium (CID 162113705) is carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium.
What is the SMILES notation for carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium?
The canonical SMILES for carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium is C[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C.[CH3-].[Y].
What is the InChIKey of carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium?
The InChIKey is KVOKETSIANFTNN-FORAGAHYSA-N. The full InChI is InChI=1S/C15H27NO2.CH3.Y/c1-12(11-13-7-4-3-5-8-13)18-15(17)14-9-6-10-16(14)2;;/h12-14H,3-11H2,1-2H3;1H3;/q;-1;/t12-,14-;;/m0../s1.
What are the key properties of carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium?
carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium has a molecular weight of 357.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate;yttrium is sourced from PubChem (CID 162113705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).