1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H22N2O5 — CID 119257347

IUPAC1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)COc1ccccc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C17H22N2O5/c1-17(16(22)23)8-9-19(11-17)15(21)12-6-4-5-7-13(12)24-10-14(20)18(2)3/h4-7H,8-11H2,1-3H3,(H,22,23)
InChIKeyIXHBVTCAYMUJDL-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.09
Rot. Bonds5

About 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119257347) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119257347
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(C)C(=O)COc1ccccc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C17H22N2O5/c1-17(16(22)23)8-9-19(11-17)15(21)12-6-4-5-7-13(12)24-10-14(20)18(2)3/h4-7H,8-11H2,1-3H3,(H,22,23)
InChIKeyIXHBVTCAYMUJDL-UHFFFAOYSA-N
XLogP1.09
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
CID 46643290
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
N,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
(3R)-1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129415120
N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 46417857
3-methyl-1-[2-(2-phenylmethoxyphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119256206
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
(3S)-3-methyl-1-(2-propylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125149966
(3S)-1-[3-(2-chlorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129369041
1-[3-(2-ethoxyphenyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529326

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119257347) is 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid is CN(C)C(=O)COc1ccccc1C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IXHBVTCAYMUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(16(22)23)8-9-19(11-17)15(21)12-6-4-5-7-13(12)24-10-14(20)18(2)3/h4-7H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).