(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid

C27H33NO5S — CID 12941400

IUPAC(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H](OCc2ccc(-c3cccs3)cc2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C27H33NO5S/c29-23-18-24(33-19-20-9-11-21(12-10-20)25-7-5-17-34-25)22(6-3-1-2-4-8-26(30)31)27(23)28-13-15-32-16-14-28/h1,3,5,7,9-12,17,22,24,27H,2,4,6,8,13-16,18-19H2,(H,30,31)/b3-1-/t22-,24-,27+/m0/s1
InChIKeyQINWWSRZWJHHRO-KCYQMHHVSA-N
MW483.63 g/mol
LogP4.79
Rot. Bonds11

About (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid (PubChem CID 12941400) has the molecular formula C27H33NO5S and a molecular weight of 483.63 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
PubChem CID12941400
Molecular FormulaC27H33NO5S
Molecular Weight483.63 g/mol
Exact Mass483.21
IUPAC Name(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H](OCc2ccc(-c3cccs3)cc2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C27H33NO5S/c29-23-18-24(33-19-20-9-11-21(12-10-20)25-7-5-17-34-25)22(6-3-1-2-4-8-26(30)31)27(23)28-13-15-32-16-14-28/h1,3,5,7,9-12,17,22,24,27H,2,4,6,8,13-16,18-19H2,(H,30,31)/b3-1-/t22-,24-,27+/m0/s1
InChIKeyQINWWSRZWJHHRO-KCYQMHHVSA-N
XLogP4.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.79
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 (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[4,4-Bis[3-(cyclohexyloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 45263295
1-[4,4-Bis[3-(propan-2-yloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid;hydrochloride
CID 45263318
AH 22921
CID 6439146
7-(5-(((1,1'-Biphenyl)-4-yl)methoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-5-heptenoic acid
CID 57347178
(Z)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 44208867
1-(4,4-Bis(3-(isopropoxymethyl)thiophen-2-yl)but-3-enyl)piperidine-2-carboxylic acid hydrochloride
CID 44406195
1-(4,4-Bis(3-(cyclohexyloxymethyl)thiophen-2-yl)but-3-enyl)piperidine-2-carboxylic acid hydrochloride
CID 44406223
7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 129897
(E)-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 10050726
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-4-enoic acid
CID 12786388
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid
CID 12786390
(Z)-7-[(1R,2R,5S)-5-[(4-benzylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 12786399

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid (CID 12941400) is (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1[C@@H](OCc2ccc(-c3cccs3)cc2)CC(=O)[C@@H]1N1CCOCC1.
What is the InChIKey of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
The InChIKey is QINWWSRZWJHHRO-KCYQMHHVSA-N. The full InChI is InChI=1S/C27H33NO5S/c29-23-18-24(33-19-20-9-11-21(12-10-20)25-7-5-17-34-25)22(6-3-1-2-4-8-26(30)31)27(23)28-13-15-32-16-14-28/h1,3,5,7,9-12,17,22,24,27H,2,4,6,8,13-16,18-19H2,(H,30,31)/b3-1-/t22-,24-,27+/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid has a molecular weight of 483.63 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 12941400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).