4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid

C22H25NO4 — CID 67884363

IUPAC4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid
SMILESO=C(O)CCCC1=NC[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C22H25NO4/c24-21(25)13-7-12-19-22(27-16-18-10-5-2-6-11-18)20(14-23-19)26-15-17-8-3-1-4-9-17/h1-6,8-11,20,22H,7,12-16H2,(H,24,25)/t20-,22?/m1/s1
InChIKeyVOEDLYITDOMIHJ-PSDZMVHGSA-N
MW367.44 g/mol
LogP3.87
Rot. Bonds10

About 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid

4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid (PubChem CID 67884363) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid
PubChem CID67884363
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid
SMILESO=C(O)CCCC1=NC[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C22H25NO4/c24-21(25)13-7-12-19-22(27-16-18-10-5-2-6-11-18)20(14-23-19)26-15-17-8-3-1-4-9-17/h1-6,8-11,20,22H,7,12-16H2,(H,24,25)/t20-,22?/m1/s1
InChIKeyVOEDLYITDOMIHJ-PSDZMVHGSA-N
XLogP3.87
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-phenylmethoxycarbonyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl)butanoic acid
CID 91562739
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-2-[methyl(5-phenylpentyl)amino]-5-phenylmethoxycyclopentyl]hept-5-enoic acid
CID 70510147
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid
CID 21496336
2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
CID 132839013
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
15-phenylpentadecanoic acid
CID 2737151
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid?
The IUPAC name of 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid (CID 67884363) is 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid.
What is the SMILES notation for 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid?
The canonical SMILES for 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid is O=C(O)CCCC1=NC[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid?
The InChIKey is VOEDLYITDOMIHJ-PSDZMVHGSA-N. The full InChI is InChI=1S/C22H25NO4/c24-21(25)13-7-12-19-22(27-16-18-10-5-2-6-11-18)20(14-23-19)26-15-17-8-3-1-4-9-17/h1-6,8-11,20,22H,7,12-16H2,(H,24,25)/t20-,22?/m1/s1.
What are the key properties of 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid?
4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid has a molecular weight of 367.44 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-5-yl]butanoic acid is sourced from PubChem (CID 67884363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).