2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid

C14H16O5 — CID 22795466

IUPAC2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C14H16O5/c15-12-8-11(6-10(12)7-13(16)17)19-14(18)9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2,(H,16,17)/t10-,11-,12-/m0/s1
InChIKeyWRUGOFGDOIIYBY-SRVKXCTJSA-N
MW264.28 g/mol
LogP1.46
Rot. Bonds4

About 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid

2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid (PubChem CID 22795466) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid
PubChem CID22795466
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H]1O
InChIInChI=1S/C14H16O5/c15-12-8-11(6-10(12)7-13(16)17)19-14(18)9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2,(H,16,17)/t10-,11-,12-/m0/s1
InChIKeyWRUGOFGDOIIYBY-SRVKXCTJSA-N
XLogP1.46
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylcyclohexyl) benzoate
CID 15157091
2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid
CID 88842148
benzoic acid;(3-benzoyloxy-4,5-dihydroxycyclohexyl) benzoate
CID 145437281
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571
[(1R,3S,4S)-3-fluoro-4-hydroxycyclohexyl] benzoate
CID 59834848
[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
CID 140504984
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365
2-[(2S,3R,5S)-3-benzoyloxy-5-hydroxy-2-(methoxymethyl)cyclopentyl]acetic acid
CID 70596643
[3,5-bis(benzylsulfonyloxy)cyclohexyl] benzoate
CID 178076443
[(1R,3S,4R,6S)-3-benzoyloxy-2,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 10862027
[(1R,2S,3R,4S,5S,6S)-3,4-dibenzoyloxy-2,5,6-trihydroxycyclohexyl] benzoate
CID 10863923
(4-methoxycyclohexyl) benzoate
CID 101493670

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid (CID 22795466) is 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid is O=C(O)C[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@@H]1O.
What is the InChIKey of 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid?
The InChIKey is WRUGOFGDOIIYBY-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H16O5/c15-12-8-11(6-10(12)7-13(16)17)19-14(18)9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2,(H,16,17)/t10-,11-,12-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid?
2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-4-benzoyloxy-2-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 22795466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).