2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid

C12H20O4 — CID 10082491

IUPAC2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid
SMILESO=C(O)C[C@H]1CCC(=O)[C@@H]1CCCCCO
InChIInChI=1S/C12H20O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h9-10,13H,1-8H2,(H,15,16)/t9-,10-/m1/s1
InChIKeySXFKEAKOXUOQGN-NXEZZACHSA-N
MW228.29 g/mol
LogP1.61
Rot. Bonds7

About 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid

2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid (PubChem CID 10082491) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid
PubChem CID10082491
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid
SMILESO=C(O)C[C@H]1CCC(=O)[C@@H]1CCCCCO
InChIInChI=1S/C12H20O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h9-10,13H,1-8H2,(H,15,16)/t9-,10-/m1/s1
InChIKeySXFKEAKOXUOQGN-NXEZZACHSA-N
XLogP1.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hedione
CID 102861
Cyclopentaneacetic acid, 3-oxo-2-pentyl-
CID 107126
Methyl dihydrojasmonate, trans-(-)-
CID 1738124
11alpha-Hydroxy-9,15-dioxo-2,3,4,5-tetranorprostane-1,20-dioic acid
CID 161468
Propyl 3-oxo-2-pentylcyclopentaneacetate
CID 11184378
(-)-9,10-Dihydrojasmonic acid
CID 644120
Prohydrojasmon
CID 20056433
Methyl dihydrojasmonate, (+-)-trans-
CID 1738125
(1R,2S)-3-oxo-2-pentyl-cyclopentaneacetic acid
CID 9920768
Methyl dihydrojasmonate, cis-(+)-
CID 1738122
Prostan-1-oic acid, 15-hydroxy-9-oxo-, (15S)-
CID 3082469
3-(2-Oxocyclopentyl)propanoic acid
CID 102966

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid (CID 10082491) is 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid is O=C(O)C[C@H]1CCC(=O)[C@@H]1CCCCCO.
What is the InChIKey of 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid?
The InChIKey is SXFKEAKOXUOQGN-NXEZZACHSA-N. The full InChI is InChI=1S/C12H20O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h9-10,13H,1-8H2,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid?
2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(5-hydroxypentyl)-3-oxocyclopentyl]acetic acid is sourced from PubChem (CID 10082491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).