(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid

C27H35NO5S — CID 20510359

IUPAC(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C(OCc2csc(-c3ccccc3)c2)CC(O)C1N1CCOCC1
InChIInChI=1S/C27H35NO5S/c29-23-17-24(33-18-20-16-25(34-19-20)21-8-4-3-5-9-21)22(10-6-1-2-7-11-26(30)31)27(23)28-12-14-32-15-13-28/h1,3-6,8-9,16,19,22-24,27,29H,2,7,10-15,17-18H2,(H,30,31)/b6-1+
InChIKeyXNRPLZMUYRLJQW-LZCJLJQNSA-N
MW485.65 g/mol
LogP4.58
Rot. Bonds11

About (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid

(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid (PubChem CID 20510359) has the molecular formula C27H35NO5S and a molecular weight of 485.65 g/mol. Its IUPAC name is (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid
PubChem CID20510359
Molecular FormulaC27H35NO5S
Molecular Weight485.65 g/mol
Exact Mass485.22
IUPAC Name(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C(OCc2csc(-c3ccccc3)c2)CC(O)C1N1CCOCC1
InChIInChI=1S/C27H35NO5S/c29-23-17-24(33-18-20-16-25(34-19-20)21-8-4-3-5-9-21)22(10-6-1-2-7-11-26(30)31)27(23)28-12-14-32-15-13-28/h1,3-6,8-9,16,19,22-24,27,29H,2,7,10-15,17-18H2,(H,30,31)/b6-1+
InChIKeyXNRPLZMUYRLJQW-LZCJLJQNSA-N
XLogP4.58
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 54.58
H-Bond Donors ≤ 52
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 (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid with MolForge

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Related Compounds

(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
8-Morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12941363
6-[(5-Cyclohexylthiophen-2-yl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 12941367
8-Morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12941371
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941395
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[[4-(4-methoxyphenyl)thiophen-2-yl]methoxy]-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 12941398
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941400
(E)-7-[2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 20233721
(E)-7-[5-[(4-benzylthiophen-2-yl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 20466498
(E)-7-[3-hydroxy-5-[(4-methylthiophen-2-yl)methoxy]-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 20466501
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-(thiophen-3-ylmethoxy)cyclopentyl]hept-5-enoic acid
CID 20466507

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid (CID 20510359) is (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C/CC1C(OCc2csc(-c3ccccc3)c2)CC(O)C1N1CCOCC1.
What is the InChIKey of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid?
The InChIKey is XNRPLZMUYRLJQW-LZCJLJQNSA-N. The full InChI is InChI=1S/C27H35NO5S/c29-23-17-24(33-18-20-16-25(34-19-20)21-8-4-3-5-9-21)22(10-6-1-2-7-11-26(30)31)27(23)28-12-14-32-15-13-28/h1,3-6,8-9,16,19,22-24,27,29H,2,7,10-15,17-18H2,(H,30,31)/b6-1+.
What are the key properties of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid?
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid has a molecular weight of 485.65 g/mol, XLogP of 4.58, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 20510359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).