methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid

C29H36NO5P — CID 11466346

IUPACmethyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid
SMILESCP(=O)(O)CCC#CCCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1
InChIInChI=1S/C29H36NO5P/c1-36(32,33)20-8-3-2-7-11-26-28(21-27(31)29(26)30-16-18-34-19-17-30)35-22-23-12-14-25(15-13-23)24-9-5-4-6-10-24/h4-6,9-10,12-15,26,28-29H,7-8,11,16-22H2,1H3,(H,32,33)
InChIKeyWDHITKDIMPHMON-UHFFFAOYSA-N
MW509.58 g/mol
LogP4.60
Rot. Bonds9

About methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid

methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid (PubChem CID 11466346) has the molecular formula C29H36NO5P and a molecular weight of 509.58 g/mol. Its IUPAC name is methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid
PubChem CID11466346
Molecular FormulaC29H36NO5P
Molecular Weight509.58 g/mol
Exact Mass509.23
IUPAC Namemethyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid
SMILESCP(=O)(O)CCC#CCCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1
InChIInChI=1S/C29H36NO5P/c1-36(32,33)20-8-3-2-7-11-26-28(21-27(31)29(26)30-16-18-34-19-17-30)35-22-23-12-14-25(15-13-23)24-9-5-4-6-10-24/h4-6,9-10,12-15,26,28-29H,7-8,11,16-22H2,1H3,(H,32,33)
InChIKeyWDHITKDIMPHMON-UHFFFAOYSA-N
XLogP4.60
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-acetyloxy-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-ynoate
CID 22824510
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[[4-(4-phenylphenyl)phenyl]methoxy]cyclopentyl]hept-4-enoic acid
CID 12786379
sodium methyl-[(E)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoxy]-oxophosphanium
CID 11214956
calcium bis((E)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate)
CID 171042450
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
2-(dimethylamino)ethyl 7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 54454060
7-[(1R,2R,5S)-5-[[4-(3-methoxyphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 54360855
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate
CID 70486848
(Z)-7-[(1R,2R,5S)-5-[(4-benzylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 12786399
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[3-(4-phenylphenyl)propoxy]cyclopentyl]hept-4-enoic acid
CID 70549533
7-[(1R,2R,5S)-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 54463478

Frequently Asked Questions

What is the IUPAC name of methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid?
The IUPAC name of methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid (CID 11466346) is methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid.
What is the SMILES notation for methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid?
The canonical SMILES for methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid is CP(=O)(O)CCC#CCCC1C(OCc2ccc(-c3ccccc3)cc2)CC(=O)C1N1CCOCC1.
What is the InChIKey of methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid?
The InChIKey is WDHITKDIMPHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36NO5P/c1-36(32,33)20-8-3-2-7-11-26-28(21-27(31)29(26)30-16-18-34-19-17-30)35-22-23-12-14-25(15-13-23)24-9-5-4-6-10-24/h4-6,9-10,12-15,26,28-29H,7-8,11,16-22H2,1H3,(H,32,33).
What are the key properties of methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid?
methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid has a molecular weight of 509.58 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hex-3-ynyl]phosphinic acid is sourced from PubChem (CID 11466346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).