1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid

C20H24N2O3 — CID 95078818

IUPAC1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C20H24N2O3/c1-3-21-12-14(2)19(20(24)25)17(21)11-18(23)22-10-9-16(13-22)15-7-5-4-6-8-15/h4-8,12,16H,3,9-11,13H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyMGYOERZMJKHXHQ-INIZCTEOSA-N
MW340.42 g/mol
LogP3.07
Rot. Bonds5

About 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid

1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid (PubChem CID 95078818) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid
PubChem CID95078818
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid
SMILESCCn1cc(C)c(C(=O)O)c1CC(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C20H24N2O3/c1-3-21-12-14(2)19(20(24)25)17(21)11-18(23)22-10-9-16(13-22)15-7-5-4-6-8-15/h4-8,12,16H,3,9-11,13H2,1-2H3,(H,24,25)/t16-/m0/s1
InChIKeyMGYOERZMJKHXHQ-INIZCTEOSA-N
XLogP3.07
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
CID 124761216
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
2-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]sulfanylacetamide
CID 60605411
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 124725307
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid (CID 95078818) is 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid is CCn1cc(C)c(C(=O)O)c1CC(=O)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid?
The InChIKey is MGYOERZMJKHXHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-21-12-14(2)19(20(24)25)17(21)11-18(23)22-10-9-16(13-22)15-7-5-4-6-8-15/h4-8,12,16H,3,9-11,13H2,1-2H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid?
1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2-[2-oxo-2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 95078818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).