1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid

C10H18N2O2 — CID 19075558

IUPAC1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1CC2CCCN(C2)C1
InChIInChI=1S/C10H18N2O2/c1-11(10(13)14)9-5-8-3-2-4-12(6-8)7-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyCXYASGSXZLQCFM-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.08
Rot. Bonds1

About 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid

1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid (PubChem CID 19075558) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid.

Molecular Properties

Compound Name1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
PubChem CID19075558
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1CC2CCCN(C2)C1
InChIInChI=1S/C10H18N2O2/c1-11(10(13)14)9-5-8-3-2-4-12(6-8)7-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyCXYASGSXZLQCFM-UHFFFAOYSA-N
XLogP1.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 130631700
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
1-azabicyclo[4.3.1]decane-8-carboxylic acid
CID 19848697
(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol
CID 96839852
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
N,N-dimethyl-1-azabicyclo[3.2.1]octane-7-carboxamide
CID 121227558
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-[1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682804
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032128
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid
CID 68805154

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid?
The IUPAC name of 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid (CID 19075558) is 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid.
What is the SMILES notation for 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid?
The canonical SMILES for 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid is CN(C(=O)O)C1CC2CCCN(C2)C1.
What is the InChIKey of 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid?
The InChIKey is CXYASGSXZLQCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11(10(13)14)9-5-8-3-2-4-12(6-8)7-9/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid?
1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid has a molecular weight of 198.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid is sourced from PubChem (CID 19075558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).