5-(2-bicyclo[3.2.1]octanyl)pentanoic acid

C13H22O2 — CID 21325432

IUPAC5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
SMILESO=C(O)CCCCC1CCC2CCC1C2
InChIInChI=1S/C13H22O2/c14-13(15)4-2-1-3-11-7-5-10-6-8-12(11)9-10/h10-12H,1-9H2,(H,14,15)
InChIKeyMWXLPODWNSNRJG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds5

About 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid

5-(2-bicyclo[3.2.1]octanyl)pentanoic acid (PubChem CID 21325432) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid.

Molecular Properties

Compound Name5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
PubChem CID21325432
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
SMILESO=C(O)CCCCC1CCC2CCC1C2
InChIInChI=1S/C13H22O2/c14-13(15)4-2-1-3-11-7-5-10-6-8-12(11)9-10/h10-12H,1-9H2,(H,14,15)
InChIKeyMWXLPODWNSNRJG-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-(2-bicyclo[3.2.1]octanyl)-1-chlorohept-1-en-3-one
CID 21325429
7-(2-cyclopropylcyclopropyl)heptanoic acid
CID 85185916
5-[2,3,4-tris(sulfanyl)cyclohexyl]pentanoic acid
CID 175026049
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
8-[1-(7-carboxyheptyl)-6,7-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octanoic acid
CID 20626771
3-[11-(2-bicyclo[2.2.1]heptanyl)undecyl]-3-hydroxypentanedioic acid
CID 70477145
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
CID 18377070

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid?
The IUPAC name of 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid (CID 21325432) is 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid.
What is the SMILES notation for 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid?
The canonical SMILES for 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid is O=C(O)CCCCC1CCC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid?
The InChIKey is MWXLPODWNSNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(15)4-2-1-3-11-7-5-10-6-8-12(11)9-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid?
5-(2-bicyclo[3.2.1]octanyl)pentanoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[3.2.1]octanyl)pentanoic acid is sourced from PubChem (CID 21325432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).