2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid

C10H18N2O3 — CID 69279628

IUPAC2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(C(=O)O)C1CC(N)=O
InChIInChI=1S/C10H18N2O3/c1-2-4-12-5-3-7(10(14)15)8(12)6-9(11)13/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyYTUPZGOULJBKOB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds5

About 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid

2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid (PubChem CID 69279628) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid
PubChem CID69279628
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid
SMILESCCCN1CCC(C(=O)O)C1CC(N)=O
InChIInChI=1S/C10H18N2O3/c1-2-4-12-5-3-7(10(14)15)8(12)6-9(11)13/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyYTUPZGOULJBKOB-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-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 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid (CID 69279628) is 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid is CCCN1CCC(C(=O)O)C1CC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid?
The InChIKey is YTUPZGOULJBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-4-12-5-3-7(10(14)15)8(12)6-9(11)13/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid?
2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-1-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 69279628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).