2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid

C17H22O4 — CID 57205162

IUPAC2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)CCCc2ccccc2)CC[C@@H]1O
InChIInChI=1S/C17H22O4/c18-15(8-4-7-12-5-2-1-3-6-12)13-9-10-16(19)14(13)11-17(20)21/h1-3,5-6,13-14,16,19H,4,7-11H2,(H,20,21)/t13-,14+,16-/m0/s1
InChIKeyMWBKVOLVDHGIGX-LZWOXQAQSA-N
MW290.36 g/mol
LogP2.44
Rot. Bonds7

About 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid

2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid (PubChem CID 57205162) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid
PubChem CID57205162
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid
SMILESO=C(O)C[C@@H]1[C@@H](C(=O)CCCc2ccccc2)CC[C@@H]1O
InChIInChI=1S/C17H22O4/c18-15(8-4-7-12-5-2-1-3-6-12)13-9-10-16(19)14(13)11-17(20)21/h1-3,5-6,13-14,16,19H,4,7-11H2,(H,20,21)/t13-,14+,16-/m0/s1
InChIKeyMWBKVOLVDHGIGX-LZWOXQAQSA-N
XLogP2.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

17-Phenyl-omega-trinor-PGE2
CID 5283068
Latanoprost acid
CID 6441636
7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenyl-pentyl)-cyclopentyl]-heptanoic acid
CID 15486806
3-Hydroxy-5-oxo-7-phenyl-heptanoic acid
CID 44303431
16-phenyl tetranor Prostaglandin E2
CID 5283067
17-Phenyl-18,19,20-trinor-pgd2
CID 6435438
(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E)-3-oxo-5-phenylpent-1-enyl)cyclopentyl)hept-5-enoic acid
CID 52193985
7-{(1R,2R,3R,5S)-2-[(R)-5-(2-Fluoro-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
CID 9909510
7-{(1R,2R,3R,5S)-2-[(R)-5-(3-Fluoro-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
CID 10001608
2,2-syn-3-[benzylseleno]brefeldin A
CID 10874069
7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((R)-3-hydroxy-5-o-tolyl-pentyl)-cyclopentyl]-heptanoic acid
CID 44285146
7-{(1R,2R,3R,5S)-2-[(R)-5-(3-Ethyl-phenyl)-3-hydroxy-pentyl]-3,5-dihydroxy-cyclopentyl}-heptanoic acid
CID 44285209

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid (CID 57205162) is 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid is O=C(O)C[C@@H]1[C@@H](C(=O)CCCc2ccccc2)CC[C@@H]1O.
What is the InChIKey of 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid?
The InChIKey is MWBKVOLVDHGIGX-LZWOXQAQSA-N. The full InChI is InChI=1S/C17H22O4/c18-15(8-4-7-12-5-2-1-3-6-12)13-9-10-16(19)14(13)11-17(20)21/h1-3,5-6,13-14,16,19H,4,7-11H2,(H,20,21)/t13-,14+,16-/m0/s1.
What are the key properties of 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid?
2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5S)-2-hydroxy-5-(4-phenylbutanoyl)cyclopentyl]acetic acid is sourced from PubChem (CID 57205162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).