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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).