2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H25NO2 — CID 79606577

IUPAC2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CC1CCCC1
InChIInChI=1S/C15H25NO2/c17-15(18)9-12-7-13-5-6-14(8-12)16(13)10-11-3-1-2-4-11/h11-14H,1-10H2,(H,17,18)
InChIKeyAGKSKNULMXBLFU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.89
Rot. Bonds4

About 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79606577) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79606577
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2CC1CCCC1
InChIInChI=1S/C15H25NO2/c17-15(18)9-12-7-13-5-6-14(8-12)16(13)10-11-3-1-2-4-11/h11-14H,1-10H2,(H,17,18)
InChIKeyAGKSKNULMXBLFU-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770465
2-[8-(4-hydroxybutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606159
2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606219
2-[8-[2-(2-acetylhydrazinyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605925
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114473215
2-[8-(2-sulfamoylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114385411
2-[8-(3-chloro-2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 106439304
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605844
potassium;2-cyclohexylacetic acid;hydride
CID 174261063

Frequently Asked Questions

What is the IUPAC name of 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79606577) is 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2CC1CCCC1.
What is the InChIKey of 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is AGKSKNULMXBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-15(18)9-12-7-13-5-6-14(8-12)16(13)10-11-3-1-2-4-11/h11-14H,1-10H2,(H,17,18).
What are the key properties of 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 251.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).