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

C27H33NO5S — CID 12786390

IUPAC(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid
SMILESO=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2csc(-c3ccccc3)c2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C27H33NO5S/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/h1-5,8-9,16,19,22,24,27H,6-7,10-15,17-18H2,(H,30,31)/b2-1-/t22-,24-,27+/m0/s1
InChIKeyMSLLCMOJPRKSKB-QGXSPLDVSA-N
MW483.63 g/mol
LogP4.79
Rot. Bonds11

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

(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid (PubChem CID 12786390) 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-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid
PubChem CID12786390
Molecular FormulaC27H33NO5S
Molecular Weight483.63 g/mol
Exact Mass483.21
IUPAC Name(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid
SMILESO=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2csc(-c3ccccc3)c2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C27H33NO5S/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/h1-5,8-9,16,19,22,24,27H,6-7,10-15,17-18H2,(H,30,31)/b2-1-/t22-,24-,27+/m0/s1
InChIKeyMSLLCMOJPRKSKB-QGXSPLDVSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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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
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
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-4-enoic acid
CID 12786388
(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,5S)-2-morpholin-4-yl-3-oxo-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941400
(E)-7-[5-[[4-(4-methoxyphenyl)thiophen-2-yl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid
CID 12941411
(E)-7-[2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 20233721
(E)-7-[2-morpholin-4-yl-3-oxo-5-(thiophen-2-ylmethoxy)cyclopentyl]hept-5-enoic acid
CID 20466485
(E)-7-[5-[(4-benzylthiophen-2-yl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 20466498
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid
CID 20510359

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid (CID 12786390) is (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid is O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2csc(-c3ccccc3)c2)CC(=O)[C@@H]1N1CCOCC1.
What is the InChIKey of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid?
The InChIKey is MSLLCMOJPRKSKB-QGXSPLDVSA-N. The full InChI is InChI=1S/C27H33NO5S/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/h1-5,8-9,16,19,22,24,27H,6-7,10-15,17-18H2,(H,30,31)/b2-1-/t22-,24-,27+/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid?
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-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-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid is sourced from PubChem (CID 12786390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).