[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate

C15H25NO3 — CID 14504096

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12?,13-/m1/s1
InChIKeySLHPMAOXNSLXEH-ZGVCCVRISA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds3

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate (PubChem CID 14504096) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate
PubChem CID14504096
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(=O)N1
InChIInChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12?,13-/m1/s1
InChIKeySLHPMAOXNSLXEH-ZGVCCVRISA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate (CID 14504096) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(=O)N1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate?
The InChIKey is SLHPMAOXNSLXEH-ZGVCCVRISA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12?,13-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 14504096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).