2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid

C11H18N2O4 — CID 61011616

IUPAC2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H18N2O4/c1-4-12(6-10(15)16)8-5-9(14)13(7(2)3)11(8)17/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyLYTNQQNMHXVAIZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.07
Rot. Bonds5

About 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid (PubChem CID 61011616) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
PubChem CID61011616
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C11H18N2O4/c1-4-12(6-10(15)16)8-5-9(14)13(7(2)3)11(8)17/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyLYTNQQNMHXVAIZ-UHFFFAOYSA-N
XLogP-0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid (CID 61011616) is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid?
The InChIKey is LYTNQQNMHXVAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-4-12(6-10(15)16)8-5-9(14)13(7(2)3)11(8)17/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid?
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid has a molecular weight of 242.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-ethylamino]acetic acid is sourced from PubChem (CID 61011616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).