N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide

C10H18N2O2 — CID 15549518

IUPACN-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChIInChI=1S/C10H18N2O2/c1-6(13)11-10-8-4-3-7(12(8)2)5-9(10)14/h7-10,14H,3-5H2,1-2H3,(H,11,13)/t7-,8+,9-,10+/m0/s1
InChIKeyYMRVYWXQHFQHHY-QCLAVDOMSA-N
MW198.27 g/mol
LogP-0.28
Rot. Bonds1

About N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide

N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide (PubChem CID 15549518) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide
PubChem CID15549518
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChIInChI=1S/C10H18N2O2/c1-6(13)11-10-8-4-3-7(12(8)2)5-9(10)14/h7-10,14H,3-5H2,1-2H3,(H,11,13)/t7-,8+,9-,10+/m0/s1
InChIKeyYMRVYWXQHFQHHY-QCLAVDOMSA-N
XLogP-0.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide with MolForge

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Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63768201
1-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78995414
N-(6-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 14126987
1-[(3S)-3-[2-hydroxy-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazin-1-yl]ethanone
CID 69799312
N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide
CID 70872049
N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide
CID 90748977
N-[[(2S,3R,4S)-3,4-dihydroxy-1-(2-piperidin-1-ylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 123784075
N-(8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)acetamide
CID 138728561
[1-Acetyl-2-(hydroxymethyl)piperidin-3-yl]azanium
CID 163421854
Tert-butyl 2-amino-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 164555792
(1R,2S,3S,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 164821395
(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 164821408

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide?
The IUPAC name of N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide (CID 15549518) is N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide is CC(=O)N[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C.
What is the InChIKey of N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide?
The InChIKey is YMRVYWXQHFQHHY-QCLAVDOMSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(13)11-10-8-4-3-7(12(8)2)5-9(10)14/h7-10,14H,3-5H2,1-2H3,(H,11,13)/t7-,8+,9-,10+/m0/s1.
What are the key properties of N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide?
N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide has a molecular weight of 198.27 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide is sourced from PubChem (CID 15549518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).