2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid

C12H18O3 — CID 7067458

IUPAC2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
SMILESCCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyZNJFBWYDHIGLCU-ZJUUUORDSA-N
MW210.27 g/mol
LogP2.41
Rot. Bonds5

About 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid

2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid (PubChem CID 7067458) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
PubChem CID7067458
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
SMILESCCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyZNJFBWYDHIGLCU-ZJUUUORDSA-N
XLogP2.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 25245751
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;hydrochloride
CID 175288857
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 174803900
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 5365335
2-[(1S)-2-[(E)-hex-3-enyl]-3-oxocyclopentyl]acetic acid
CID 149288803
methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
2-[2-[(2Z)-4-methylpenta-2,4-dienyl]-3-oxocyclopentyl]acetic acid
CID 25190960
4-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanoic acid
CID 14311116
[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
CID 73407000
(2S)-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid
CID 146037330
2-[(1S,2S)-2-[(Z)-5-acetyloxypent-2-enyl]-3-oxocyclopentyl]acetic acid
CID 71620241

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid (CID 7067458) is 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid is CCC=CC[C@@H]1C(=O)CC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid?
The InChIKey is ZNJFBWYDHIGLCU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid?
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid has a molecular weight of 210.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid is sourced from PubChem (CID 7067458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).