1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid

C12H22N2O3 — CID 83079579

IUPAC1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-5-12(11(16)17)7-6-8-14(12)9(2)10(15)13(3)4/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyNJZMAKPKPUFHSP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.79
Rot. Bonds4

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

1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83079579) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83079579
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)C(=O)N(C)C
InChIInChI=1S/C12H22N2O3/c1-5-12(11(16)17)7-6-8-14(12)9(2)10(15)13(3)4/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyNJZMAKPKPUFHSP-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(dimethylamino)-1-oxopropan-2-yl]-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

Related Compounds

2-ethyl-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83070935
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
2-ethyl-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080884
2-ethyl-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83080724
2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
CID 83079824
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83079579) is 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(C)C(=O)N(C)C.
What is the InChIKey of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is NJZMAKPKPUFHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-12(11(16)17)7-6-8-14(12)9(2)10(15)13(3)4/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83079579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).