(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate

C15H27NO2 — CID 55148914

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)12-7-6-11(3)9-14(12)18-15(17)13-5-4-8-16-13/h10-14,16H,4-9H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyGHPONKGIPOGMRD-WCFLAILDSA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate (PubChem CID 55148914) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate
PubChem CID55148914
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)[C@H]2CCCN2)C1
InChIInChI=1S/C15H27NO2/c1-10(2)12-7-6-11(3)9-14(12)18-15(17)13-5-4-8-16-13/h10-14,16H,4-9H2,1-3H3/t11?,12?,13-,14?/m1/s1
InChIKeyGHPONKGIPOGMRD-WCFLAILDSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
(5-methyl-2-propan-2-ylcyclohexyl) pyrrolidine-3-carboxylate
CID 63031486
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
(5-methyl-2-propan-2-ylcyclohexyl) 2-cyanoacetate
CID 2750806
bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 102075959

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate (CID 55148914) is (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate is CC1CCC(C(C)C)C(OC(=O)[C@H]2CCCN2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate?
The InChIKey is GHPONKGIPOGMRD-WCFLAILDSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)12-7-6-11(3)9-14(12)18-15(17)13-5-4-8-16-13/h10-14,16H,4-9H2,1-3H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 55148914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).