2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid

C11H16O4 — CID 102302499

IUPAC2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid
SMILESCC(=O)OC[C@H]1[C@H](C)C=C[C@H]1CC(=O)O
InChIInChI=1S/C11H16O4/c1-7-3-4-9(5-11(13)14)10(7)6-15-8(2)12/h3-4,7,9-10H,5-6H2,1-2H3,(H,13,14)/t7-,9+,10+/m1/s1
InChIKeyHOPDTKDZSDKOTC-JEZHCXPESA-N
MW212.24 g/mol
LogP1.46
Rot. Bonds4

About 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid

2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid (PubChem CID 102302499) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid
PubChem CID102302499
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid
SMILESCC(=O)OC[C@H]1[C@H](C)C=C[C@H]1CC(=O)O
InChIInChI=1S/C11H16O4/c1-7-3-4-9(5-11(13)14)10(7)6-15-8(2)12/h3-4,7,9-10H,5-6H2,1-2H3,(H,13,14)/t7-,9+,10+/m1/s1
InChIKeyHOPDTKDZSDKOTC-JEZHCXPESA-N
XLogP1.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R,5S)-4-hydroxy-5-(methoxymethyl)cyclopent-2-en-1-yl]acetic acid
CID 70609064
[(2S,3R,6R,7R,9S,10R)-10-(acetyloxymethyl)-9-pentacyclo[4.4.0.02,4.03,8.05,7]decanyl]methyl acetate
CID 100895939
2-[2-(acetyloxymethyl)-6-[2-[4-[2-[(2R,3S,6S)-2-(acetyloxymethyl)-3-(carboxymethyl)-3,6-dihydro-2H-pyran-6-yl]ethynyl]phenyl]ethynyl]-3,6-dihydro-2H-pyran-3-yl]acetic acid
CID 90355041
2-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 11269290
2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetic acid
CID 22498105
(2R)-2-[(1S,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]propanoic acid
CID 46187915
[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 170093751
2-[(2R,3S,4R)-2-(acetyloxymethyl)-3,6-bis(carboxymethyl)oxan-4-yl]acetic acid
CID 175828320
[(2Z,4E,6Z,8E)-cyclonona-2,4,6,8-tetraen-1-yl]methyl acetate
CID 121011443
2-[2,3,4-tris(carboxymethyl)cyclobutyl]acetic acid
CID 13046627
2-(6-but-2-enyl-2,5-dimethylcyclohex-3-en-1-yl)acetic acid
CID 67765219
[(1R,5R,8R)-8-bicyclo[3.2.1]octa-2,6-dienyl]methyl acetate
CID 98162364

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid (CID 102302499) is 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid is CC(=O)OC[C@H]1[C@H](C)C=C[C@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid?
The InChIKey is HOPDTKDZSDKOTC-JEZHCXPESA-N. The full InChI is InChI=1S/C11H16O4/c1-7-3-4-9(5-11(13)14)10(7)6-15-8(2)12/h3-4,7,9-10H,5-6H2,1-2H3,(H,13,14)/t7-,9+,10+/m1/s1.
What are the key properties of 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid?
2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid has a molecular weight of 212.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R,5S)-5-(acetyloxymethyl)-4-methylcyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 102302499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).