1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

C12H23N3O3 — CID 83071053

IUPAC1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCCN(C)C
InChIInChI=1S/C12H23N3O3/c1-4-12(10(16)17)6-5-8-15(12)11(18)13-7-9-14(2)3/h4-9H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyNGRLDKBLKWYUFY-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.59
Rot. Bonds5

About 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83071053) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83071053
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCCN(C)C
InChIInChI=1S/C12H23N3O3/c1-4-12(10(16)17)6-5-8-15(12)11(18)13-7-9-14(2)3/h4-9H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyNGRLDKBLKWYUFY-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbamoyloxyethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83203913
2-ethyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644891
2-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363999
1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063989
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071140
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070246
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83071053) is 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is NGRLDKBLKWYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-12(10(16)17)6-5-8-15(12)11(18)13-7-9-14(2)3/h4-9H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).