methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate

C8H10O4 — CID 56646951

IUPACmethyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate
SMILESCOC(=O)[C@H](O)[C@H]1C=CC(=O)C1
InChIInChI=1S/C8H10O4/c1-12-8(11)7(10)5-2-3-6(9)4-5/h2-3,5,7,10H,4H2,1H3/t5-,7+/m0/s1
InChIKeyQOJQVEJDUXQGNF-CAHLUQPWSA-N
MW170.16 g/mol
LogP-0.33
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate

methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate (PubChem CID 56646951) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate
PubChem CID56646951
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate
SMILESCOC(=O)[C@H](O)[C@H]1C=CC(=O)C1
InChIInChI=1S/C8H10O4/c1-12-8(11)7(10)5-2-3-6(9)4-5/h2-3,5,7,10H,4H2,1H3/t5-,7+/m0/s1
InChIKeyQOJQVEJDUXQGNF-CAHLUQPWSA-N
XLogP-0.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684115
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70694618
2-(2-hydroxyethoxy)ethyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70696655
Methyl 5-acetyl-1-hydroxy-4-oxocyclohex-2-ene-1-carboxylate
CID 15322978
Trans-9-hydroxy-3-methyl-8-oxo-dodec-trans-6-en-4-olide
CID 11064514
(4R,5S)-5-[(E,5R)-5-hydroxy-4-oxooct-2-enyl]-4-methyloxolan-2-one
CID 162951494
alpha-Hydroxy-(4-methyl-2-oxo-3-cyclopenten-1-yl)-acetic acid ethyl ester
CID 13174425
methyl (2S)-2-cyclopent-2-en-1-yl-2-hydroxyacetate
CID 70607877
methyl (2R)-2-cyclopent-2-en-1-yl-2-hydroxyacetate
CID 70607934
(Z)-7-(2-hydroxycyclopentyl)-4,5-dioxohept-6-enoic acid
CID 70609434
Methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
CID 71206230
Ethane;methyl 2-(2,3-dihydroxy-4-oxocyclopent-2-en-1-yl)-2-hydroxyacetate
CID 143298515

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate (CID 56646951) is methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate is COC(=O)[C@H](O)[C@H]1C=CC(=O)C1.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate?
The InChIKey is QOJQVEJDUXQGNF-CAHLUQPWSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-8(11)7(10)5-2-3-6(9)4-5/h2-3,5,7,10H,4H2,1H3/t5-,7+/m0/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate?
methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate has a molecular weight of 170.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[(1R)-4-oxocyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 56646951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).