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

C30H37NO4 — CID 90413461

IUPAC(Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid
SMILESO=C(O)CC/C=C\CC[C@H]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C30H37NO4/c32-28-22-26(17-14-23-12-15-25(16-13-23)24-8-4-3-5-9-24)27(10-6-1-2-7-11-29(33)34)30(28)31-18-20-35-21-19-31/h1-5,8-9,12-13,15-16,26-27,30H,6-7,10-11,14,17-22H2,(H,33,34)/b2-1-/t26-,27-,30+/m0/s1
InChIKeyMPEWONJYYCRPFF-AIOJOQTNSA-N
MW475.63 g/mol
LogP5.39
Rot. Bonds11

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

(Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid (PubChem CID 90413461) has the molecular formula C30H37NO4 and a molecular weight of 475.63 g/mol. Its IUPAC name is (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid
PubChem CID90413461
Molecular FormulaC30H37NO4
Molecular Weight475.63 g/mol
Exact Mass475.27
IUPAC Name(Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid
SMILESO=C(O)CC/C=C\CC[C@H]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1
InChIInChI=1S/C30H37NO4/c32-28-22-26(17-14-23-12-15-25(16-13-23)24-8-4-3-5-9-24)27(10-6-1-2-7-11-29(33)34)30(28)31-18-20-35-21-19-31/h1-5,8-9,12-13,15-16,26-27,30H,6-7,10-11,14,17-22H2,(H,33,34)/b2-1-/t26-,27-,30+/m0/s1
InChIKeyMPEWONJYYCRPFF-AIOJOQTNSA-N
XLogP5.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid?
The IUPAC name of (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid (CID 90413461) is (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid.
What is the SMILES notation for (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid?
The canonical SMILES for (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid is O=C(O)CC/C=C\CC[C@H]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CC(=O)[C@@H]1N1CCOCC1.
What is the InChIKey of (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid?
The InChIKey is MPEWONJYYCRPFF-AIOJOQTNSA-N. The full InChI is InChI=1S/C30H37NO4/c32-28-22-26(17-14-23-12-15-25(16-13-23)24-8-4-3-5-9-24)27(10-6-1-2-7-11-29(33)34)30(28)31-18-20-35-21-19-31/h1-5,8-9,12-13,15-16,26-27,30H,6-7,10-11,14,17-22H2,(H,33,34)/b2-1-/t26-,27-,30+/m0/s1.
What are the key properties of (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid?
(Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid has a molecular weight of 475.63 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1S,2R,5S)-2-morpholin-4-yl-3-oxo-5-[2-(4-phenylphenyl)ethyl]cyclopentyl]hept-4-enoic acid is sourced from PubChem (CID 90413461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).