2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid

C12H22O3 — CID 129129516

IUPAC2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
SMILESCCCCC[C@H]1C(O)CCC1CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10-,11?/m1/s1
InChIKeyAXMWVEOITAQHFI-HSOILSAZSA-N
MW214.30 g/mol
LogP2.43
Rot. Bonds6

About 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid

2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid (PubChem CID 129129516) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
PubChem CID129129516
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
SMILESCCCCC[C@H]1C(O)CCC1CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10-,11?/m1/s1
InChIKeyAXMWVEOITAQHFI-HSOILSAZSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid?
The IUPAC name of 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid (CID 129129516) is 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid is CCCCC[C@H]1C(O)CCC1CC(=O)O.
What is the InChIKey of 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid?
The InChIKey is AXMWVEOITAQHFI-HSOILSAZSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10-,11?/m1/s1.
What are the key properties of 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid?
2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid has a molecular weight of 214.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-hydroxy-2-pentylcyclopentyl]acetic acid is sourced from PubChem (CID 129129516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).