2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide

C14H24N2O2 — CID 10264232

IUPAC2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
SMILESC[C@H]1C[C@@H](CC(N)=O)C[C@@H](C[C@@H]2CCC(=O)N2)C1
InChIInChI=1S/C14H24N2O2/c1-9-4-10(6-11(5-9)8-13(15)17)7-12-2-3-14(18)16-12/h9-12H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11-,12+/m1/s1
InChIKeyLWUYJJRQKBURDU-KXNHARMFSA-N
MW252.36 g/mol
LogP1.58
Rot. Bonds4

About 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide

2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide (PubChem CID 10264232) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
PubChem CID10264232
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
SMILESC[C@H]1C[C@@H](CC(N)=O)C[C@@H](C[C@@H]2CCC(=O)N2)C1
InChIInChI=1S/C14H24N2O2/c1-9-4-10(6-11(5-9)8-13(15)17)7-12-2-3-14(18)16-12/h9-12H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11-,12+/m1/s1
InChIKeyLWUYJJRQKBURDU-KXNHARMFSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide?
The IUPAC name of 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide (CID 10264232) is 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide is C[C@H]1C[C@@H](CC(N)=O)C[C@@H](C[C@@H]2CCC(=O)N2)C1.
What is the InChIKey of 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide?
The InChIKey is LWUYJJRQKBURDU-KXNHARMFSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-4-10(6-11(5-9)8-13(15)17)7-12-2-3-14(18)16-12/h9-12H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11-,12+/m1/s1.
What are the key properties of 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide?
2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R,5S)-3-methyl-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 10264232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).