2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid

C13H21N3O5 — CID 107440384

IUPAC2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCCC(CC)N1C(=O)CC(N(CC(N)=O)CC(=O)O)C1=O
InChIInChI=1S/C13H21N3O5/c1-3-8(4-2)16-11(18)5-9(13(16)21)15(6-10(14)17)7-12(19)20/h8-9H,3-7H2,1-2H3,(H2,14,17)(H,19,20)
InChIKeyWXMVKEDZKPVPQB-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.83
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 107440384) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
PubChem CID107440384
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCCC(CC)N1C(=O)CC(N(CC(N)=O)CC(=O)O)C1=O
InChIInChI=1S/C13H21N3O5/c1-3-8(4-2)16-11(18)5-9(13(16)21)15(6-10(14)17)7-12(19)20/h8-9H,3-7H2,1-2H3,(H2,14,17)(H,19,20)
InChIKeyWXMVKEDZKPVPQB-UHFFFAOYSA-N
XLogP-0.83
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic 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-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
CID 63066080
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
CID 61008700
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
CID 61011616
2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 107426067
2-[butan-2-yl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 60834519
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid
CID 60840305
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 43638643
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
CID 60834441
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)-prop-2-ynylamino]acetic acid
CID 79283874
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
CID 43638073
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid (CID 107440384) is 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid is CCC(CC)N1C(=O)CC(N(CC(N)=O)CC(=O)O)C1=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is WXMVKEDZKPVPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-3-8(4-2)16-11(18)5-9(13(16)21)15(6-10(14)17)7-12(19)20/h8-9H,3-7H2,1-2H3,(H2,14,17)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of -0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 107440384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).