2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid

C10H17NO2 — CID 125454700

IUPAC2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid
SMILESO=C(O)CC12CCCN(CCC1)C2
InChIInChI=1S/C10H17NO2/c12-9(13)7-10-3-1-5-11(8-10)6-2-4-10/h1-8H2,(H,12,13)
InChIKeyXKFUJKZHGWWMPQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.34
Rot. Bonds2

About 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid

2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid (PubChem CID 125454700) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid
PubChem CID125454700
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid
SMILESO=C(O)CC12CCCN(CCC1)C2
InChIInChI=1S/C10H17NO2/c12-9(13)7-10-3-1-5-11(8-10)6-2-4-10/h1-8H2,(H,12,13)
InChIKeyXKFUJKZHGWWMPQ-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1-azabicyclo[3.2.1]octan-5-yl)acetate
CID 19374778
1-azabicyclo[3.2.1]octan-5-ylmethyl carbamate
CID 70091384
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
1,5-bis[1-azabicyclo[3.2.1]octan-5-ylmethyl(dimethyl)silyl]penta-1,4-diyn-3-one
CID 139729463
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
CID 28952583
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
(3R)-3-(carboxymethyl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 1240873
2-[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]acetic acid;hydrochloride
CID 134128339
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 83821336

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid?
The IUPAC name of 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid (CID 125454700) is 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid.
What is the SMILES notation for 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid?
The canonical SMILES for 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid is O=C(O)CC12CCCN(CCC1)C2.
What is the InChIKey of 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid?
The InChIKey is XKFUJKZHGWWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-9(13)7-10-3-1-5-11(8-10)6-2-4-10/h1-8H2,(H,12,13).
What are the key properties of 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid?
2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[3.3.1]nonan-5-yl)acetic acid is sourced from PubChem (CID 125454700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).