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

C15H27NO2 — CID 58176271

IUPAC[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate
SMILESC[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C15H27NO2/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/t12-,14-/m0/s1
InChIKeyVIPKVUGNGTVYLN-JSGCOSHPSA-N
MW253.39 g/mol
LogP2.98
Rot. Bonds4

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

[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate (PubChem CID 58176271) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate
PubChem CID58176271
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate
SMILESC[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C15H27NO2/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/t12-,14-/m0/s1
InChIKeyVIPKVUGNGTVYLN-JSGCOSHPSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate (CID 58176271) is [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate is C[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C.
What is the InChIKey of [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is VIPKVUGNGTVYLN-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H27NO2/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/t12-,14-/m0/s1.
What are the key properties of [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate?
[(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclohexylpropan-2-yl] (2S)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 58176271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).