3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

C11H18FNO2 — CID 81114598

IUPAC3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCCCF
InChIInChI=1S/C11H18FNO2/c12-4-1-5-13-10-8-3-2-7(6-8)9(10)11(14)15/h7-10,13H,1-6H2,(H,14,15)
InChIKeyNZCUMMNMUDRFQJ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.43
Rot. Bonds5

About 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 81114598) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID81114598
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCCCF
InChIInChI=1S/C11H18FNO2/c12-4-1-5-13-10-8-3-2-7(6-8)9(10)11(14)15/h7-10,13H,1-6H2,(H,14,15)
InChIKeyNZCUMMNMUDRFQJ-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,4,4-trifluorobutylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 115514667
3-(4,4-dimethylpentylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 114209643
3-[2-(3-methoxypropoxy)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103181327
(1S,2R,3S,4R)-3-(methylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66674234
3-(4,4-dimethylpent-2-ynylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 114190051
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
3-(thiolan-3-ylmethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 107133711
3-[(5-bromo-3-pyridinyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 113454684
3-[(3-cyclopropylimidazol-4-yl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 66141271
3-[(2-cyclobutylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103925600
3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79260494
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 103790663

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 81114598) is 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1NCCCF.
What is the InChIKey of 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NZCUMMNMUDRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c12-4-1-5-13-10-8-3-2-7(6-8)9(10)11(14)15/h7-10,13H,1-6H2,(H,14,15).
What are the key properties of 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 81114598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).