2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid

C10H17FN2O2 — CID 155047508

IUPAC2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESCNC1CC2CCCC(C1F)N2C(=O)O
InChIInChI=1S/C10H17FN2O2/c1-12-7-5-6-3-2-4-8(9(7)11)13(6)10(14)15/h6-9,12H,2-5H2,1H3,(H,14,15)
InChIKeyDYTMNPWZEFGXNZ-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.22
Rot. Bonds1

About 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid

2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid (PubChem CID 155047508) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
PubChem CID155047508
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
SMILESCNC1CC2CCCC(C1F)N2C(=O)O
InChIInChI=1S/C10H17FN2O2/c1-12-7-5-6-3-2-4-8(9(7)11)13(6)10(14)15/h6-9,12H,2-5H2,1H3,(H,14,15)
InChIKeyDYTMNPWZEFGXNZ-UHFFFAOYSA-N
XLogP1.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S,5S)-3-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-2-fluoro-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 155047492
[(2S,3S)-2-fluoro-3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]-methylborinic acid
CID 167368971
(1R,2S,3R,5S)-3-(benzylamino)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 70530529
tert-butyl (2R,3R)-3-(cyclopropylamino)-2-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166580762
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid
CID 69144531
(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498
(1S,2R,3R,5R)-2-fluoro-3-[methyl-(3-methylsulfanyl-1,2,4-triazin-6-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 170189288
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
(1R,6S,9R)-9-N-methyl-7-azabicyclo[4.2.2]decane-7,9-diamine
CID 166671629
(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The IUPAC name of 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid (CID 155047508) is 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid.
What is the SMILES notation for 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The canonical SMILES for 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid is CNC1CC2CCCC(C1F)N2C(=O)O.
What is the InChIKey of 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
The InChIKey is DYTMNPWZEFGXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-12-7-5-6-3-2-4-8(9(7)11)13(6)10(14)15/h6-9,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid?
2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid is sourced from PubChem (CID 155047508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).