(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone

C16H28N2O2 — CID 146209701

IUPAC(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone
SMILESCN[C@H](C(=O)N1CCC[C@@]1(C)C(C)=O)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-12(19)16(2)10-7-11-18(16)15(20)14(17-3)13-8-5-4-6-9-13/h13-14,17H,4-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyDICSOQXUFALLCY-HOCLYGCPSA-N
MW280.41 g/mol
LogP2.12
Rot. Bonds4

About (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone

(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone (PubChem CID 146209701) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone
PubChem CID146209701
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone
SMILESCN[C@H](C(=O)N1CCC[C@@]1(C)C(C)=O)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-12(19)16(2)10-7-11-18(16)15(20)14(17-3)13-8-5-4-6-9-13/h13-14,17H,4-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyDICSOQXUFALLCY-HOCLYGCPSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone with MolForge

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Related Compounds

1-cyclobutyl-1-(methylamino)propan-2-one
CID 116955955
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366316
methyl (2S)-2-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 58388106
(2R)-1-acetyl-N,2-dimethylpyrrolidine-2-carboxamide
CID 131850595
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124682258
methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
CID 54546442
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
CID 18337685
2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 81108488
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-[2-cyclohexyl-2-[[3-(3,4-dihydroxyphenyl)-2-hydroxypropanoyl]amino]acetyl]-2-methylpyrrolidine-2-carboxylate
CID 130433979
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
The IUPAC name of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone (CID 146209701) is (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone.
What is the SMILES notation for (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
The canonical SMILES for (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone is CN[C@H](C(=O)N1CCC[C@@]1(C)C(C)=O)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
The InChIKey is DICSOQXUFALLCY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(19)16(2)10-7-11-18(16)15(20)14(17-3)13-8-5-4-6-9-13/h13-14,17H,4-11H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone?
(2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone has a molecular weight of 280.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-acetyl-2-methylpyrrolidin-1-yl]-2-cyclohexyl-2-(methylamino)ethanone is sourced from PubChem (CID 146209701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).