methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate

C32H43NO5 — CID 54220789

IUPACmethyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate
SMILESCOC(=O)CCCC=CC[C@@H]1[C@@H](N2CCOCC2)[C@H](O)C[C@@H]1OCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C32H43NO5/c1-36-31(35)12-8-3-2-7-11-28-30(23-29(34)32(28)33-19-21-37-22-20-33)38-24-27-17-15-26(16-18-27)14-13-25-9-5-4-6-10-25/h2,4-7,9-10,15-18,28-30,32,34H,3,8,11-14,19-24H2,1H3/t28-,29+,30-,32+/m0/s1
InChIKeyQCLDDZPBQFHSEN-ZREVQEDVSA-N
MW521.70 g/mol
LogP4.73
Rot. Bonds13

About methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate

methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate (PubChem CID 54220789) has the molecular formula C32H43NO5 and a molecular weight of 521.70 g/mol. Its IUPAC name is methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate.

Molecular Properties

Compound Namemethyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate
PubChem CID54220789
Molecular FormulaC32H43NO5
Molecular Weight521.70 g/mol
Exact Mass521.31
IUPAC Namemethyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate
SMILESCOC(=O)CCCC=CC[C@@H]1[C@@H](N2CCOCC2)[C@H](O)C[C@@H]1OCc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C32H43NO5/c1-36-31(35)12-8-3-2-7-11-28-30(23-29(34)32(28)33-19-21-37-22-20-33)38-24-27-17-15-26(16-18-27)14-13-25-9-5-4-6-10-25/h2,4-7,9-10,15-18,28-30,32,34H,3,8,11-14,19-24H2,1H3/t28-,29+,30-,32+/m0/s1
InChIKeyQCLDDZPBQFHSEN-ZREVQEDVSA-N
XLogP4.73
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.70
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate with MolForge

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Related Compounds

(Z)-7-[(1R,2R,3R,5S)-5-[(4-benzylphenyl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 12941384
7-[(1R,2R,3R,5S)-5-[[4-(dimethylsulfamoyl)phenyl]methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 57072343
methyl 7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-methylphenyl)methylsulfanyl]-2-morpholin-4-ylcyclopentyl]hept-5-enoate
CID 54570074
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-thiomorpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 70533285
7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 56636236
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentyl]hept-4-enoic acid
CID 70548536
(Z)-7-[(1S,2S,5R)-5-[(4-benzylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 70514724
methyl 7-[(1S,2S,3S,5R)-5-hydroxy-2-morpholin-4-yl-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 54200942
[2-(dimethylamino)-2-oxoethyl] (Z)-7-[(1R,2R,3S,5S)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 70486903
7-[(1R,2R,3R,5S)-5-[(4-azidophenyl)methoxy]-3-hydroxy-2-piperidin-1-ylcyclopentyl]hept-5-enoic acid
CID 54527128
methylsulfanylmethyl (E)-7-[(2R,3S,5S)-3-hydroxy-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-morpholin-4-ylcyclopentyl]hept-4-enoate
CID 70503437
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[methyl(5-phenylpentyl)amino]-5-phenylmethoxycyclopentyl]hept-5-enoic acid
CID 70510147

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate?
The IUPAC name of methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate (CID 54220789) is methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate.
What is the SMILES notation for methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate?
The canonical SMILES for methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate is COC(=O)CCCC=CC[C@@H]1[C@@H](N2CCOCC2)[C@H](O)C[C@@H]1OCc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate?
The InChIKey is QCLDDZPBQFHSEN-ZREVQEDVSA-N. The full InChI is InChI=1S/C32H43NO5/c1-36-31(35)12-8-3-2-7-11-28-30(23-29(34)32(28)33-19-21-37-22-20-33)38-24-27-17-15-26(16-18-27)14-13-25-9-5-4-6-10-25/h2,4-7,9-10,15-18,28-30,32,34H,3,8,11-14,19-24H2,1H3/t28-,29+,30-,32+/m0/s1.
What are the key properties of methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate?
methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate has a molecular weight of 521.70 g/mol, XLogP of 4.73, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1R,2R,3R,5S)-3-hydroxy-2-morpholin-4-yl-5-[[4-(2-phenylethyl)phenyl]methoxy]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 54220789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).