7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid

C29H35NO5 — CID 57347178

IUPAC7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCCC=CCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1
InChIInChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1,3-6,8-9,12-15,25,27,29H,2,7,10-11,16-21H2,(H,32,33)
InChIKeyUWQXOMOFJWMVPM-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.73
Rot. Bonds11

About 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid

7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid (PubChem CID 57347178) has the molecular formula C29H35NO5 and a molecular weight of 477.60 g/mol. Its IUPAC name is 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
PubChem CID57347178
Molecular FormulaC29H35NO5
Molecular Weight477.60 g/mol
Exact Mass477.25
IUPAC Name7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCCC=CCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1
InChIInChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1,3-6,8-9,12-15,25,27,29H,2,7,10-11,16-21H2,(H,32,33)
InChIKeyUWQXOMOFJWMVPM-UHFFFAOYSA-N
XLogP4.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.73
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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Frequently Asked Questions

What is the IUPAC name of 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
The IUPAC name of 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid (CID 57347178) is 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid is O=C(O)CCCC=CCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1.
What is the InChIKey of 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
The InChIKey is UWQXOMOFJWMVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1,3-6,8-9,12-15,25,27,29H,2,7,10-11,16-21H2,(H,32,33).
What are the key properties of 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid?
7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid has a molecular weight of 477.60 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 57347178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).