(4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one

C8H12O4 — CID 59848559

IUPAC(4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one
SMILESCC[C@H](O)[C@H]1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O4/c1-2-5(9)4-3-6(10)8(12)7(4)11/h4-5,9,11-12H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyVIJZJTKJOHMOKG-UHNVWZDZSA-N
MW172.18 g/mol
LogP0.67
Rot. Bonds2

About (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one

(4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one (PubChem CID 59848559) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one
PubChem CID59848559
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one
SMILESCC[C@H](O)[C@H]1CC(=O)C(O)=C1O
InChIInChI=1S/C8H12O4/c1-2-5(9)4-3-6(10)8(12)7(4)11/h4-5,9,11-12H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyVIJZJTKJOHMOKG-UHNVWZDZSA-N
XLogP0.67
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-Dihydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one
CID 23394374
4-(2-(18F)fluoro-1-hydroxyethyl)-2,3-dihydroxycyclopent-2-en-1-one
CID 450677
4-Hydroxy-2-(2-hydroxy-3-oxobutyl)-2,5-dimethylfuran-3-one
CID 18780367
2,3-Dihydroxy-4-(1-hydroxyethyl)cyclopent-2-en-1-one
CID 20674183
2,3-Dihydroxy-4-(1-hydroxy-2-methoxyethyl)cyclopent-2-en-1-one
CID 23529086
(4R)-4-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxycyclopent-2-en-1-one
CID 58369223
(4R)-4-(1,2-dihydroxyethyl)-2,3-dihydroxy-4-methylcyclopent-2-en-1-one
CID 58830662
2,3-Dihydroxy-4-(1-hydroxy-3,3-dimethylbutyl)cyclopent-2-en-1-one
CID 59715480
(4S,5R)-3,5-dihydroxy-2-(3-methylbutanoyl)-4-(3-methylbutyl)cyclopent-2-en-1-one
CID 68222850
3,5-Dihydroxy-2-(3-methylbutanoyl)-4-(3-methylbutyl)cyclopent-2-en-1-one
CID 71002079
2,3-Dihydroxy-4-(1-hydroxypropyl)cyclopent-2-en-1-one
CID 72578043
2,5-Dihydroxy-4-methyl-3-prop-2-ynylcyclopent-2-en-1-one
CID 88742079

Frequently Asked Questions

What is the IUPAC name of (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one (CID 59848559) is (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one is CC[C@H](O)[C@H]1CC(=O)C(O)=C1O.
What is the InChIKey of (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one?
The InChIKey is VIJZJTKJOHMOKG-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H12O4/c1-2-5(9)4-3-6(10)8(12)7(4)11/h4-5,9,11-12H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one?
(4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one has a molecular weight of 172.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,3-dihydroxy-4-[(1S)-1-hydroxypropyl]cyclopent-2-en-1-one is sourced from PubChem (CID 59848559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).