2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid

C8H12FNO2 — CID 105435405

IUPAC2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid
SMILESO=C(O)CC1(F)CN2CCC1C2
InChIInChI=1S/C8H12FNO2/c9-8(3-7(11)12)5-10-2-1-6(8)4-10/h6H,1-5H2,(H,11,12)
InChIKeyDLBGGRXNUOFWRT-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid

2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid (PubChem CID 105435405) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid
PubChem CID105435405
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid
SMILESO=C(O)CC1(F)CN2CCC1C2
InChIInChI=1S/C8H12FNO2/c9-8(3-7(11)12)5-10-2-1-6(8)4-10/h6H,1-5H2,(H,11,12)
InChIKeyDLBGGRXNUOFWRT-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetic acid
CID 28952583
(3R)-3-(carboxymethyl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 1240873
(3R,4S)-3-(hydroxymethyl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 130891891
(3R,4S)-3-amino-1-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 96735288
2-(3-morpholin-4-yl-1-azabicyclo[2.2.2]octan-3-yl)acetic acid
CID 64528910
3-(aminomethyl)-1-azabicyclo[2.2.1]heptan-3-ol;dihydrochloride
CID 70654199
3-(2-aminoethyl)-1-azabicyclo[2.2.1]heptan-3-ol
CID 105430552
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
4-amino-1-azabicyclo[3.2.1]octane-4-carboxylic acid
CID 105434470
2-(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)butanoic acid
CID 62399038
2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]acetohydrazide
CID 11194977
ethyl 2-fluoro-2-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)acetate
CID 105366099

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid (CID 105435405) is 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid is O=C(O)CC1(F)CN2CCC1C2.
What is the InChIKey of 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid?
The InChIKey is DLBGGRXNUOFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c9-8(3-7(11)12)5-10-2-1-6(8)4-10/h6H,1-5H2,(H,11,12).
What are the key properties of 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid?
2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid has a molecular weight of 173.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-azabicyclo[2.2.1]heptan-3-yl)acetic acid is sourced from PubChem (CID 105435405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).