2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid

C19H22N2O4 — CID 119247831

IUPAC2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccn2CCc2ccccc2)CCO1
InChIInChI=1S/C19H22N2O4/c22-18(23)13-16-14-21(11-12-25-16)19(24)17-7-4-9-20(17)10-8-15-5-2-1-3-6-15/h1-7,9,16H,8,10-14H2,(H,22,23)
InChIKeyZLWJHAFBUGEIQW-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.05
Rot. Bonds6

About 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119247831) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119247831
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cccn2CCc2ccccc2)CCO1
InChIInChI=1S/C19H22N2O4/c22-18(23)13-16-14-21(11-12-25-16)19(24)17-7-4-9-20(17)10-8-15-5-2-1-3-6-15/h1-7,9,16H,8,10-14H2,(H,22,23)
InChIKeyZLWJHAFBUGEIQW-UHFFFAOYSA-N
XLogP2.05
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732
[(3S)-3-methylpiperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 124591383
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
2-[(2S)-4-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 125153681
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid (CID 119247831) is 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cccn2CCc2ccccc2)CCO1.
What is the InChIKey of 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is ZLWJHAFBUGEIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(23)13-16-14-21(11-12-25-16)19(24)17-7-4-9-20(17)10-8-15-5-2-1-3-6-15/h1-7,9,16H,8,10-14H2,(H,22,23).
What are the key properties of 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 342.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).