2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid

C13H24N2O4 — CID 83079824

IUPAC2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)C(=O)NCCOC
InChIInChI=1S/C13H24N2O4/c1-4-13(12(17)18)6-5-8-15(13)10(2)11(16)14-7-9-19-3/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyPGNJIYIIKYEBKG-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.47
Rot. Bonds7

About 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 83079824) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID83079824
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)C(=O)NCCOC
InChIInChI=1S/C13H24N2O4/c1-4-13(12(17)18)6-5-8-15(13)10(2)11(16)14-7-9-19-3/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyPGNJIYIIKYEBKG-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-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
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
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
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579
2-ethyl-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83080375
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
2-ethyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxylic acid
CID 83070929
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709098
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid (CID 83079824) is 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(C)C(=O)NCCOC.
What is the InChIKey of 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is PGNJIYIIKYEBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-13(12(17)18)6-5-8-15(13)10(2)11(16)14-7-9-19-3/h10H,4-9H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83079824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).