(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid

C23H28O5 — CID 118301937

IUPAC(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(C2CCC(COc3cccc([C@H](O)[C@H](C)C(=O)O)c3)C2)c1
InChIInChI=1S/C23H28O5/c1-15(23(25)26)22(24)19-6-4-8-21(13-19)28-14-16-9-10-18(11-16)17-5-3-7-20(12-17)27-2/h3-8,12-13,15-16,18,22,24H,9-11,14H2,1-2H3,(H,25,26)/t15-,16?,18?,22+/m0/s1
InChIKeyGXDJUAFDUFDNBR-BFEXKZBDSA-N
MW384.47 g/mol
LogP4.41
Rot. Bonds8

About (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid

(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid (PubChem CID 118301937) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid
PubChem CID118301937
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid
SMILESCOc1cccc(C2CCC(COc3cccc([C@H](O)[C@H](C)C(=O)O)c3)C2)c1
InChIInChI=1S/C23H28O5/c1-15(23(25)26)22(24)19-6-4-8-21(13-19)28-14-16-9-10-18(11-16)17-5-3-7-20(12-17)27-2/h3-8,12-13,15-16,18,22,24H,9-11,14H2,1-2H3,(H,25,26)/t15-,16?,18?,22+/m0/s1
InChIKeyGXDJUAFDUFDNBR-BFEXKZBDSA-N
XLogP4.41
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid with MolForge

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Related Compounds

(2S,3R)-3-cyclopropyl-3-[3-[[3-(2-methoxy-4-pyridinyl)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
CID 118296116
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
(2S,3R)-3-cyclopropyl-3-[3-[(3-iodocyclobutyl)methoxy]phenyl]-2-methylpropanoic acid
CID 118296164
(2S,3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]propanoic acid
CID 155516498
methyl (2S,3R)-3-hydroxy-3-[3-[[2-[(3-methoxyphenyl)methyl]cyclopropyl]methoxy]phenyl]-2-methylpropanoate
CID 163626619
3-[3-[[2-(cyclodecapentaenyl)cyclopropyl]methoxy]phenyl]-3-cyclopropyl-2-methylpropanoic acid
CID 123594613
3-cyclopropyl-3-[3-[[2-(3-methoxyphenyl)cyclopropyl]methoxy]phenyl]propanoic acid
CID 118296149
3-[(3-methoxyphenoxy)methyl]cyclobutane-1-carboxylic acid
CID 142960750
(2S,3R)-3-hydroxy-2-methyl-3-[3-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 162596132
[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
CID 153141221
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid (CID 118301937) is (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid is COc1cccc(C2CCC(COc3cccc([C@H](O)[C@H](C)C(=O)O)c3)C2)c1.
What is the InChIKey of (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid?
The InChIKey is GXDJUAFDUFDNBR-BFEXKZBDSA-N. The full InChI is InChI=1S/C23H28O5/c1-15(23(25)26)22(24)19-6-4-8-21(13-19)28-14-16-9-10-18(11-16)17-5-3-7-20(12-17)27-2/h3-8,12-13,15-16,18,22,24H,9-11,14H2,1-2H3,(H,25,26)/t15-,16?,18?,22+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid?
(2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid has a molecular weight of 384.47 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-3-[3-[[3-(3-methoxyphenyl)cyclopentyl]methoxy]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 118301937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).