(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid

C10H16N2O3 — CID 142736972

IUPAC(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
SMILESCC(=O)N1C2CCC1CC(NC(=O)O)C2
InChIInChI=1S/C10H16N2O3/c1-6(13)12-8-2-3-9(12)5-7(4-8)11-10(14)15/h7-9,11H,2-5H2,1H3,(H,14,15)
InChIKeyUPZRSXHDCLLAPT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.80
Rot. Bonds1

About (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid

(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid (PubChem CID 142736972) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid.

Molecular Properties

Compound Name(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
PubChem CID142736972
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid
SMILESCC(=O)N1C2CCC1CC(NC(=O)O)C2
InChIInChI=1S/C10H16N2O3/c1-6(13)12-8-2-3-9(12)5-7(4-8)11-10(14)15/h7-9,11H,2-5H2,1H3,(H,14,15)
InChIKeyUPZRSXHDCLLAPT-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 70825449
[3-(methylamino)cyclobutyl]carbamic acid
CID 90355719
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
[(1S)-3-morpholin-4-ylcyclopentyl]carbamic acid
CID 135309610
[(3S)-3-morpholin-4-ylcyclopentyl]carbamic acid
CID 67502232
(3-ethylcyclobutyl)carbamic acid
CID 89387578
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
[4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexyl]carbamic acid
CID 139369115
(3-cyclopropyloxycyclobutyl)carbamic acid
CID 172801977
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266

Frequently Asked Questions

What is the IUPAC name of (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid?
The IUPAC name of (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid (CID 142736972) is (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid.
What is the SMILES notation for (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid?
The canonical SMILES for (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid is CC(=O)N1C2CCC1CC(NC(=O)O)C2.
What is the InChIKey of (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid?
The InChIKey is UPZRSXHDCLLAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(13)12-8-2-3-9(12)5-7(4-8)11-10(14)15/h7-9,11H,2-5H2,1H3,(H,14,15).
What are the key properties of (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid?
(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid has a molecular weight of 212.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)carbamic acid is sourced from PubChem (CID 142736972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).