N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide

C13H24N2O2 — CID 122491446

IUPACN-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide
SMILESCC(=O)NCC1C2CN(CC(C)(C)CO)C[C@@H]12
InChIInChI=1S/C13H24N2O2/c1-9(17)14-4-10-11-5-15(6-12(10)11)7-13(2,3)8-16/h10-12,16H,4-8H2,1-3H3,(H,14,17)/t10?,11-,12?/m0/s1
InChIKeyPDGVCWRVOHELSU-CXQJBGSLSA-N
MW240.35 g/mol
LogP0.32
Rot. Bonds5

About N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide

N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide (PubChem CID 122491446) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide
PubChem CID122491446
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide
SMILESCC(=O)NCC1C2CN(CC(C)(C)CO)C[C@@H]12
InChIInChI=1S/C13H24N2O2/c1-9(17)14-4-10-11-5-15(6-12(10)11)7-13(2,3)8-16/h10-12,16H,4-8H2,1-3H3,(H,14,17)/t10?,11-,12?/m0/s1
InChIKeyPDGVCWRVOHELSU-CXQJBGSLSA-N
XLogP0.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide (CID 122491446) is N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide is CC(=O)NCC1C2CN(CC(C)(C)CO)C[C@@H]12.
What is the InChIKey of N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
The InChIKey is PDGVCWRVOHELSU-CXQJBGSLSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(17)14-4-10-11-5-15(6-12(10)11)7-13(2,3)8-16/h10-12,16H,4-8H2,1-3H3,(H,14,17)/t10?,11-,12?/m0/s1.
What are the key properties of N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide?
N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide has a molecular weight of 240.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-hydroxy-2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]acetamide is sourced from PubChem (CID 122491446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).