methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate

C15H25NO3 — CID 58938906

IUPACmethyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate
SMILESCOC(=O)[C@@H](CC(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C15H25NO3/c1-19-15(18)13(12-7-3-2-4-8-12)11-14(17)16-9-5-6-10-16/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyBISLUUKLBSVRJS-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds4

About methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate

methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate (PubChem CID 58938906) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate
PubChem CID58938906
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate
SMILESCOC(=O)[C@@H](CC(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C15H25NO3/c1-19-15(18)13(12-7-3-2-4-8-12)11-14(17)16-9-5-6-10-16/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyBISLUUKLBSVRJS-ZDUSSCGKSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate?
The IUPAC name of methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate (CID 58938906) is methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate.
What is the SMILES notation for methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate?
The canonical SMILES for methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate is COC(=O)[C@@H](CC(=O)N1CCCC1)C1CCCCC1.
What is the InChIKey of methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate?
The InChIKey is BISLUUKLBSVRJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO3/c1-19-15(18)13(12-7-3-2-4-8-12)11-14(17)16-9-5-6-10-16/h12-13H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate?
methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate has a molecular weight of 267.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cyclohexyl-4-oxo-4-pyrrolidin-1-ylbutanoate is sourced from PubChem (CID 58938906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).