[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate

C9H16O5 — CID 130243888

IUPAC[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@H]1CC[C@@H](O)C1O
InChIInChI=1S/C9H16O5/c1-5(10)14-4-8(12)6-2-3-7(11)9(6)13/h6-9,11-13H,2-4H2,1H3/t6-,7-,8-,9?/m1/s1
InChIKeyAWYSKKVHSYHPFE-BYBOBHAWSA-N
MW204.22 g/mol
LogP-0.96
Rot. Bonds3

About [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate

[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate (PubChem CID 130243888) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate
PubChem CID130243888
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@H]1CC[C@@H](O)C1O
InChIInChI=1S/C9H16O5/c1-5(10)14-4-8(12)6-2-3-7(11)9(6)13/h6-9,11-13H,2-4H2,1H3/t6-,7-,8-,9?/m1/s1
InChIKeyAWYSKKVHSYHPFE-BYBOBHAWSA-N
XLogP-0.96
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate 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

[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
CID 118147027
2-hydroxypropyl acetate;mercury
CID 174858394
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
CID 57379190
[2-hydroxy-2-(3-methylidenecyclobutyl)ethyl] acetate
CID 167727019
ethanol;2-hydroxypropyl acetate
CID 88717262
[(2R)-2-[(4R,5R)-5-[(1R)-2-acetyloxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] acetate
CID 118615098
[(2S)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyethyl] acetate
CID 155071152
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
[(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate
CID 91861700
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
(2S,4R,5R)-6-[(1R)-2-acetyloxy-1-hydroxyethyl]-2-[(ethyldisulfanyl)methoxy]-4,5-dihydroxyoxane-2-carboxylic acid
CID 90352884
cyclohexane-1,2,3,4-tetrol;methanol
CID 70613200

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate?
The IUPAC name of [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate (CID 130243888) is [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate.
What is the SMILES notation for [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate?
The canonical SMILES for [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate is CC(=O)OC[C@@H](O)[C@H]1CC[C@@H](O)C1O.
What is the InChIKey of [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate?
The InChIKey is AWYSKKVHSYHPFE-BYBOBHAWSA-N. The full InChI is InChI=1S/C9H16O5/c1-5(10)14-4-8(12)6-2-3-7(11)9(6)13/h6-9,11-13H,2-4H2,1H3/t6-,7-,8-,9?/m1/s1.
What are the key properties of [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate?
[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate has a molecular weight of 204.22 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate is sourced from PubChem (CID 130243888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).