(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone

C14H24N2O2 — CID 58391583

IUPAC(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
SMILESC[C@@H]1C[C@@H]2CC2N1C(=O)[C@@H](N)C1(CO)CCCC1
InChIInChI=1S/C14H24N2O2/c1-9-6-10-7-11(10)16(9)13(18)12(15)14(8-17)4-2-3-5-14/h9-12,17H,2-8,15H2,1H3/t9-,10-,11?,12-/m1/s1
InChIKeyLXSXUSKFMNWPII-MAPNCKNWSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds3

About (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone

(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone (PubChem CID 58391583) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
PubChem CID58391583
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
SMILESC[C@@H]1C[C@@H]2CC2N1C(=O)[C@@H](N)C1(CO)CCCC1
InChIInChI=1S/C14H24N2O2/c1-9-6-10-7-11(10)16(9)13(18)12(15)14(8-17)4-2-3-5-14/h9-12,17H,2-8,15H2,1H3/t9-,10-,11?,12-/m1/s1
InChIKeyLXSXUSKFMNWPII-MAPNCKNWSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
CID 21338988
(1S,3S)-2-[2-amino-2-[1-(hydroxymethyl)cyclobutyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 147249657
2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyclobutyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;2-[(2S)-2-[1-(hydroxymethyl)cyclobutyl]-2-(methylamino)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 161004575
(5S)-1-[2-amino-2-[1-(hydroxymethyl)cyclohexyl]acetyl]-4,5-dimethylpyrrolidine-2-carbonitrile
CID 70799635
(1S,5R,6S)-2-[2-amino-2-[1-(hydroxymethyl)cyclopentyl]acetyl]-6-methyl-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 148910209
(2S)-2-(1-adamantyl)-2-amino-1-(3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)ethanone;2-[(2S)-2-amino-2-(1-bicyclo[2.2.1]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;(2S)-2-amino-2-(3-fluoro-1-adamantyl)-1-(3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)ethanone;(2S)-2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone;(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-(3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)ethanone;(2S)-2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone;(2S)-2-amino-2-[1-(hydroxymethyl)cyclohexyl]-1-(3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)ethanone;2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 157212710
(2S)-2-(1-adamantyl)-2-amino-1-[(3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;(3S,5S)-2-[(2S)-2-amino-2-(1-bicyclo[2.2.1]heptanyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;(2S)-2-amino-2-(3-fluoro-1-adamantyl)-1-[(3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;(2S)-2-amino-2-[1-(1-fluoroethenyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-[(3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;(2S)-2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;(2S)-2-amino-2-[1-(hydroxymethyl)cyclohexyl]-1-[(3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone;(3S,5S)-2-[(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 157212711
tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[1-(hydroxymethyl)cyclopentyl]-2-oxoethyl]carbamate
CID 11349039
2-[2-amino-2-(1-prop-1-en-2-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 21339034
(5S)-2-[2-amino-2-(1-prop-1-en-2-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 147395529
2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one
CID 119324400
2-[(2S)-2-amino-2-(1-phenylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 59891421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone (CID 58391583) is (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone is C[C@@H]1C[C@@H]2CC2N1C(=O)[C@@H](N)C1(CO)CCCC1.
What is the InChIKey of (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone?
The InChIKey is LXSXUSKFMNWPII-MAPNCKNWSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-6-10-7-11(10)16(9)13(18)12(15)14(8-17)4-2-3-5-14/h9-12,17H,2-8,15H2,1H3/t9-,10-,11?,12-/m1/s1.
What are the key properties of (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone?
(2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[1-(hydroxymethyl)cyclopentyl]-1-[(3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone is sourced from PubChem (CID 58391583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).