7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid

C29H31NO4 — CID 57221466

IUPAC7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
SMILESO=C(O)CCC=CCC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1
InChIInChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/t26-,27+,29-/m0/s1
InChIKeyNMJYFIAGWNELHF-GKRYNVPLSA-N
MW457.57 g/mol
LogP6.22
Rot. Bonds11

About 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid

7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid (PubChem CID 57221466) has the molecular formula C29H31NO4 and a molecular weight of 457.57 g/mol. Its IUPAC name is 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid.

Molecular Properties

Compound Name7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
PubChem CID57221466
Molecular FormulaC29H31NO4
Molecular Weight457.57 g/mol
Exact Mass457.23
IUPAC Name7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
SMILESO=C(O)CCC=CCC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1
InChIInChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/t26-,27+,29-/m0/s1
InChIKeyNMJYFIAGWNELHF-GKRYNVPLSA-N
XLogP6.22
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
CID 67797765
(Z)-7-[(1R,2S,5S)-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 70374533
7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 56636236
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[[4-(4-phenylphenyl)phenyl]methoxy]cyclopentyl]hept-4-enoic acid
CID 12786379
(Z)-7-[(1R,2R,3S,5S)-2-morpholin-4-yl-3-(oxan-2-yloxy)-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
CID 70374255
7-[(1R,2R,3S,5S)-3-hydroxy-5-[[4-(4-hydroxyphenyl)phenyl]methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
CID 70377962
3-(2-phenylmethoxycyclopropyl)pyridine
CID 174946029
7-[(1R,2R,5S)-5-[[4-(3-methoxyphenyl)phenyl]methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 54360855
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-thiomorpholin-4-ylcyclopentyl]hept-4-enoic acid
CID 70535341
(Z)-6-[(2S,4S,5R)-2-(furan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10088804
calcium bis((E)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate)
CID 171042450
(Z)-7-[(1R,2R,5S)-5-[(4-benzylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-4-enoic acid
CID 12786399

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
The IUPAC name of 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid (CID 57221466) is 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid.
What is the SMILES notation for 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
The canonical SMILES for 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid is O=C(O)CCC=CCC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1.
What is the InChIKey of 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
The InChIKey is NMJYFIAGWNELHF-GKRYNVPLSA-N. The full InChI is InChI=1S/C29H31NO4/c31-28(32)13-7-2-1-6-12-26-27(21-34-29(26)25-11-8-18-30-19-25)33-20-22-14-16-24(17-15-22)23-9-4-3-5-10-23/h1-5,8-11,14-19,26-27,29H,6-7,12-13,20-21H2,(H,31,32)/t26-,27+,29-/m0/s1.
What are the key properties of 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid has a molecular weight of 457.57 g/mol, XLogP of 6.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid is sourced from PubChem (CID 57221466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).