benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate

C14H16O3 — CID 141134646

IUPACbenzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate
SMILESO=C(CC1=C[C@@H](O)CC1)OCc1ccccc1
InChIInChI=1S/C14H16O3/c15-13-7-6-12(8-13)9-14(16)17-10-11-4-2-1-3-5-11/h1-5,8,13,15H,6-7,9-10H2/t13-/m0/s1
InChIKeyZFQOCWYUWDCEOH-ZDUSSCGKSA-N
MW232.28 g/mol
LogP2.20
Rot. Bonds4

About benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate

benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate (PubChem CID 141134646) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate
PubChem CID141134646
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namebenzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate
SMILESO=C(CC1=C[C@@H](O)CC1)OCc1ccccc1
InChIInChI=1S/C14H16O3/c15-13-7-6-12(8-13)9-14(16)17-10-11-4-2-1-3-5-11/h1-5,8,13,15H,6-7,9-10H2/t13-/m0/s1
InChIKeyZFQOCWYUWDCEOH-ZDUSSCGKSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
CID 134956776
CID 134956776
benzyl 2-aminoacetate
CID 122130027
dibenzyl thiolane-2,5-dicarboxylate
CID 14993194
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-aminoacetate;hydrochloride
CID 11701227
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
benzyl 2-chloroacetate
CID 8786
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate?
The IUPAC name of benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate (CID 141134646) is benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate.
What is the SMILES notation for benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate?
The canonical SMILES for benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate is O=C(CC1=C[C@@H](O)CC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate?
The InChIKey is ZFQOCWYUWDCEOH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16O3/c15-13-7-6-12(8-13)9-14(16)17-10-11-4-2-1-3-5-11/h1-5,8,13,15H,6-7,9-10H2/t13-/m0/s1.
What are the key properties of benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate?
benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate has a molecular weight of 232.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3S)-3-hydroxycyclopenten-1-yl]acetate is sourced from PubChem (CID 141134646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).