(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid

C28H33NO5 — CID 163892066

IUPAC(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C\[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C28H33NO5/c30-25-19-26(34-20-21-11-13-23(14-12-21)22-7-3-1-4-8-22)24(9-5-2-6-10-27(31)32)28(25)29-15-17-33-18-16-29/h1,3-5,7-9,11-14,24,26,28H,2,6,10,15-20H2,(H,31,32)/b9-5-/t24-,26-,28+/m0/s1
InChIKeyQCJQZFYWGZJRBH-QKZNKMLGSA-N
MW463.57 g/mol
LogP4.34
Rot. Bonds10

About (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid

(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid (PubChem CID 163892066) has the molecular formula C28H33NO5 and a molecular weight of 463.57 g/mol. Its IUPAC name is (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid
PubChem CID163892066
Molecular FormulaC28H33NO5
Molecular Weight463.57 g/mol
Exact Mass463.24
IUPAC Name(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C\[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C28H33NO5/c30-25-19-26(34-20-21-11-13-23(14-12-21)22-7-3-1-4-8-22)24(9-5-2-6-10-27(31)32)28(25)29-15-17-33-18-16-29/h1,3-5,7-9,11-14,24,26,28H,2,6,10,15-20H2,(H,31,32)/b9-5-/t24-,26-,28+/m0/s1
InChIKeyQCJQZFYWGZJRBH-QKZNKMLGSA-N
XLogP4.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[[4-(4-phenylphenyl)phenyl]methoxy]cyclopentyl]hept-4-enoic acid
CID 12786379
7-[(1R,2R,5S)-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 54463478
(Z)-7-[(1R,2R,5S)-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 70374535
(Z)-7-[(1R,2R,5S)-5-[[4-(4-chlorophenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 70513681
(Z)-7-[(1S,2S,5R)-5-[(4-benzylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 70514724
calcium bis((E)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate)
CID 171042450
sodium methyl-[(E)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoxy]-oxophosphanium
CID 11214956
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[3-(4-phenylphenyl)propoxy]cyclopentyl]hept-4-enoic acid
CID 70549533
(Z)-7-[(1R,2R,5S)-5-[(4-benzylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 12786399
7-[(1R,2R,5S)-5-[[4-(3-methoxyphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 54360855
acetyloxymethyl (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 13150680
1-acetyloxyethyl 7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 54364740

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid?
The IUPAC name of (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid (CID 163892066) is (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid.
What is the SMILES notation for (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid?
The canonical SMILES for (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid is O=C(O)CCC/C=C\[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1.
What is the InChIKey of (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid?
The InChIKey is QCJQZFYWGZJRBH-QKZNKMLGSA-N. The full InChI is InChI=1S/C28H33NO5/c30-25-19-26(34-20-21-11-13-23(14-12-21)22-7-3-1-4-8-22)24(9-5-2-6-10-27(31)32)28(25)29-15-17-33-18-16-29/h1,3-5,7-9,11-14,24,26,28H,2,6,10,15-20H2,(H,31,32)/b9-5-/t24-,26-,28+/m0/s1.
What are the key properties of (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid?
(Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid has a molecular weight of 463.57 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-5-enoic acid is sourced from PubChem (CID 163892066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).