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

C27H35NO5S — CID 12941395

IUPAC(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C(OCc2cc(-c3ccccc3)cs2)CC(O)C1N1CCOCC1
InChIInChI=1S/C27H35NO5S/c29-24-17-25(33-18-22-16-21(19-34-22)20-8-4-3-5-9-20)23(10-6-1-2-7-11-26(30)31)27(24)28-12-14-32-15-13-28/h1,3-6,8-9,16,19,23-25,27,29H,2,7,10-15,17-18H2,(H,30,31)/b6-1+
InChIKeyPOROPZVVHRDMCT-LZCJLJQNSA-N
MW485.65 g/mol
LogP4.58
Rot. Bonds11

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

(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid (PubChem CID 12941395) 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-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid
PubChem CID12941395
Molecular FormulaC27H35NO5S
Molecular Weight485.65 g/mol
Exact Mass485.22
IUPAC Name(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C(OCc2cc(-c3ccccc3)cs2)CC(O)C1N1CCOCC1
InChIInChI=1S/C27H35NO5S/c29-24-17-25(33-18-22-16-21(19-34-22)20-8-4-3-5-9-20)23(10-6-1-2-7-11-26(30)31)27(24)28-12-14-32-15-13-28/h1,3-6,8-9,16,19,23-25,27,29H,2,7,10-15,17-18H2,(H,30,31)/b6-1+
InChIKeyPOROPZVVHRDMCT-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-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid (CID 12941395) is (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C/CC1C(OCc2cc(-c3ccccc3)cs2)CC(O)C1N1CCOCC1.
What is the InChIKey of (E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid?
The InChIKey is POROPZVVHRDMCT-LZCJLJQNSA-N. The full InChI is InChI=1S/C27H35NO5S/c29-24-17-25(33-18-22-16-21(19-34-22)20-8-4-3-5-9-20)23(10-6-1-2-7-11-26(30)31)27(24)28-12-14-32-15-13-28/h1,3-6,8-9,16,19,23-25,27,29H,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-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid?
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-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-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 12941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).