2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid

C12H20O3 — CID 86310507

IUPAC2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C/C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O
InChIInChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+/t9-,10+,11+/m1/s1
InChIKeyLYSGIJUGUGJIPS-QDVNPKLESA-N
MW212.29 g/mol
LogP2.20
Rot. Bonds5

About 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid

2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid (PubChem CID 86310507) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
PubChem CID86310507
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid
SMILESCC/C=C/C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O
InChIInChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+/t9-,10+,11+/m1/s1
InChIKeyLYSGIJUGUGJIPS-QDVNPKLESA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13,14-dihydro-15-keto-PGF2alpha
CID 5283039
Unoprostone
CID 5311236
13,14-dihydro-15-keto-PGE2
CID 5280711
Cucurbic acid
CID 6123064
9S,11R-dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R]
CID 5283214
11-Deoxyprostaglandin F1alpha
CID 5283069
9R,15S-dihydroxy-13E-prostaenoic acid
CID 5283071
(+)-Cucurbic acid
CID 5281159
Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Eiseniaiodide B
CID 11452880
11beta-13, 14-DIHYDRO-15-KETO PROSTAGLANDIN F2alpha
CID 25755792

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid (CID 86310507) is 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid is CC/C=C/C[C@H]1[C@@H](CC(=O)O)CC[C@@H]1O.
What is the InChIKey of 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
The InChIKey is LYSGIJUGUGJIPS-QDVNPKLESA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+/t9-,10+,11+/m1/s1.
What are the key properties of 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid?
2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid has a molecular weight of 212.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,3S)-3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetic acid is sourced from PubChem (CID 86310507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).