1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid

C20H21NO3 — CID 119256443

IUPAC1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21NO3/c1-20(19(23)24)12-13-21(14-20)18(22)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24)
InChIKeyFQLPJDZDOBKMAB-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.14
Rot. Bonds4

About 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256443) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256443
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H21NO3/c1-20(19(23)24)12-13-21(14-20)18(22)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24)
InChIKeyFQLPJDZDOBKMAB-UHFFFAOYSA-N
XLogP3.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
CID 119256533
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-(4,4-dimethoxypiperidin-1-yl)-2,2-diphenylethanone
CID 84579916
1-(3,4-diphenylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257616
3-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 63146569
(3S)-3-methyl-1-[(2S)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124693554
(3R)-1-[(2S)-2-(2-bromophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696026
(3R)-3-methyl-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124691378
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
3-methyl-1-[(3,3,3-trifluoro-2-phenylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122010790
3-methyl-1-[2-(3-methylbut-2-enylsulfanyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256815

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid (CID 119256443) is 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FQLPJDZDOBKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(19(23)24)12-13-21(14-20)18(22)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,23,24).
What are the key properties of 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).