2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

C13H22N2O2 — CID 21338988

IUPAC2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC1CC2CC2N1C(=O)C(N)C1(CO)CCC1
InChIInChI=1S/C13H22N2O2/c1-8-5-9-6-10(9)15(8)12(17)11(14)13(7-16)3-2-4-13/h8-11,16H,2-7,14H2,1H3
InChIKeyIDQHWSBYUVFQJB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone

2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (PubChem CID 21338988) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
PubChem CID21338988
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone
SMILESCC1CC2CC2N1C(=O)C(N)C1(CO)CCC1
InChIInChI=1S/C13H22N2O2/c1-8-5-9-6-10(9)15(8)12(17)11(14)13(7-16)3-2-4-13/h8-11,16H,2-7,14H2,1H3
InChIKeyIDQHWSBYUVFQJB-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The IUPAC name of 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone (CID 21338988) is 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone.
What is the SMILES notation for 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The canonical SMILES for 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is CC1CC2CC2N1C(=O)C(N)C1(CO)CCC1.
What is the InChIKey of 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
The InChIKey is IDQHWSBYUVFQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8-5-9-6-10(9)15(8)12(17)11(14)13(7-16)3-2-4-13/h8-11,16H,2-7,14H2,1H3.
What are the key properties of 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone?
2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone has a molecular weight of 238.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(hydroxymethyl)cyclobutyl]-1-(3-methyl-2-azabicyclo[3.1.0]hexan-2-yl)ethanone is sourced from PubChem (CID 21338988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).