(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone

C12H21FN2O — CID 10220206

IUPAC(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
SMILESN[C@H](C(=O)N1CCC(F)C1)C1CCCCC1
InChIInChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10?,11-/m0/s1
InChIKeyMSOYZLRUNBBCGC-DTIOYNMSSA-N
MW228.31 g/mol
LogP1.46
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone

(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone (PubChem CID 10220206) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
PubChem CID10220206
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
SMILESN[C@H](C(=O)N1CCC(F)C1)C1CCCCC1
InChIInChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10?,11-/m0/s1
InChIKeyMSOYZLRUNBBCGC-DTIOYNMSSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
(2S,5R)-1-[(2S)-2-amino-2-cyclohexylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
CID 10038196
Chg-Pro-CN
CID 11075394
N-(Trans-4-{(1s,2s)-2-Amino-3-[(3s)-3-Fluoropyrrolidin-1-Yl]-1-Methyl-3-Oxopropyl}cyclohexyl)-N-Methylacetamide
CID 16122596
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
Chg-boroPro
CID 57689732
Cyclohexylalanine derived inhibitor, 26
CID 23647729
(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl)-ethanone
CID 44403068
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-1-yl)-ethanone
CID 44403069
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone (CID 10220206) is (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone is N[C@H](C(=O)N1CCC(F)C1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
The InChIKey is MSOYZLRUNBBCGC-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone has a molecular weight of 228.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 10220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).