1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone

C18H24N2O2 — CID 11652351

IUPAC1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
SMILESNC1C2CN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC12
InChIInChI=1S/C18H24N2O2/c19-16-14-10-20(11-15(14)16)17(21)18(22,13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-16,22H,4-5,8-11,19H2
InChIKeyAMVCNMFDOAPFEG-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.48
Rot. Bonds3

About 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone

1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone (PubChem CID 11652351) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
PubChem CID11652351
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
SMILESNC1C2CN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC12
InChIInChI=1S/C18H24N2O2/c19-16-14-10-20(11-15(14)16)17(21)18(22,13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-16,22H,4-5,8-11,19H2
InChIKeyAMVCNMFDOAPFEG-UHFFFAOYSA-N
XLogP1.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone with MolForge

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Related Compounds

3-[3-(2-cyclobutyl-2-hydroxy-2-phenylacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]propyl carbamate
CID 68715681
prop-2-enyl N-tert-butyl-N-[3-(2-cyclobutyl-2-hydroxy-2-phenylacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 91276550
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
N'-(cycloheptylmethyl)-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide
CID 25221415
4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)-N'-(4-fluorophenyl)piperazine-1-carboximidamide
CID 77253443
2-cyclopentyl-2-hydroxy-2-phenyl-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 122664443
N'-(3-chlorophenyl)-4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazine-1-carboximidamide
CID 67244482
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 67243344
[(3R)-1-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]-dimethyl-(2-phenylethyl)azanium
CID 69231329
4-[[[amino-[4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperazin-1-yl]methylidene]amino]methyl]benzamide
CID 67242446
4-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
CID 67242978
2-cyclopentyl-2-hydroxy-N-[(5R)-3-(2-phenoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide
CID 68901547

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone (CID 11652351) is 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone is NC1C2CN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC12.
What is the InChIKey of 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
The InChIKey is AMVCNMFDOAPFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c19-16-14-10-20(11-15(14)16)17(21)18(22,13-8-4-5-9-13)12-6-2-1-3-7-12/h1-3,6-7,13-16,22H,4-5,8-11,19H2.
What are the key properties of 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone?
1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone has a molecular weight of 300.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 11652351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).