2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid

C14H25NO2 — CID 114998303

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-3-7-14(8-4-2,13(16)17)15-10-11-5-6-12(15)9-11/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyXZBBNHCZTXHIIM-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid (PubChem CID 114998303) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid
PubChem CID114998303
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid
SMILESCCCC(CCC)(C(=O)O)N1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-3-7-14(8-4-2,13(16)17)15-10-11-5-6-12(15)9-11/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyXZBBNHCZTXHIIM-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpyrrolidin-1-yl)-2-propylpentanoic acid
CID 114991380
(1S,4R)-2-tert-butyl-2-azabicyclo[2.2.1]heptane
CID 58465134
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63910372
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64712033
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-2-methylpentan-1-ol
CID 62265643
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
ethyl 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetate
CID 124526616
3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
CID 106811259
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane
CID 172608634
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxy-2-methylpropan-1-amine
CID 62535883
2-(3,5-dimethylpiperidin-1-yl)-2-methylpentanoic acid
CID 114988447

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid (CID 114998303) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid is CCCC(CCC)(C(=O)O)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid?
The InChIKey is XZBBNHCZTXHIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-7-14(8-4-2,13(16)17)15-10-11-5-6-12(15)9-11/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propylpentanoic acid is sourced from PubChem (CID 114998303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).