2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid

C18H26O4 — CID 22798080

IUPAC2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)CC[C@@H]1O
InChIInChI=1S/C18H26O4/c19-15(9-6-13-4-2-1-3-5-13)10-7-14-8-11-17(20)16(14)12-18(21)22/h1-5,14-17,19-20H,6-12H2,(H,21,22)/t14-,15+,16+,17-/m0/s1
InChIKeyYPFZMGAUAWXHRE-HZMVEIRTSA-N
MW306.40 g/mol
LogP2.62
Rot. Bonds8

About 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid

2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid (PubChem CID 22798080) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid
PubChem CID22798080
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)CC[C@@H]1O
InChIInChI=1S/C18H26O4/c19-15(9-6-13-4-2-1-3-5-13)10-7-14-8-11-17(20)16(14)12-18(21)22/h1-5,14-17,19-20H,6-12H2,(H,21,22)/t14-,15+,16+,17-/m0/s1
InChIKeyYPFZMGAUAWXHRE-HZMVEIRTSA-N
XLogP2.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
CID 144918300
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(1S,3R,4R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-propylcyclopentane-1,3-diol
CID 129205006
2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]acetic acid
CID 148846294
(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
CID 143063579
2-[(1S,2R,5S)-2-hydroxy-5-(3-oxopropyl)cyclopentyl]acetic acid
CID 88760179
7-[(1R,2R,3R)-2-[(3R)-5-(3-chlorophenyl)-3-hydroxypentyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 91163530
2-[(1R,2S,5R)-2-hydroxy-5-[4-(3-methylphenyl)-3-oxobutyl]cyclopentyl]acetic acid
CID 70605772
(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-methylcyclopentyl]hept-5-enoic acid
CID 118372718
7-[5-hydroxy-2-(3-hydroxy-5-phenylpentyl)-3-methylcyclopentyl]hept-5-enoic acid
CID 123405153
(1S,3R,4R,5S)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(methoxymethyl)cyclopentane-1,3-diol
CID 166958638
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid;dihydrochloride
CID 138503362

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid (CID 22798080) is 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid is O=C(O)C[C@@H]1[C@@H](CC[C@H](O)CCc2ccccc2)CC[C@@H]1O.
What is the InChIKey of 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid?
The InChIKey is YPFZMGAUAWXHRE-HZMVEIRTSA-N. The full InChI is InChI=1S/C18H26O4/c19-15(9-6-13-4-2-1-3-5-13)10-7-14-8-11-17(20)16(14)12-18(21)22/h1-5,14-17,19-20H,6-12H2,(H,21,22)/t14-,15+,16+,17-/m0/s1.
What are the key properties of 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid?
2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid has a molecular weight of 306.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5S)-2-hydroxy-5-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]acetic acid is sourced from PubChem (CID 22798080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).