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

C12H20N2O4 — CID 61008700

IUPAC2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H20N2O4/c1-4-5-13(7-11(16)17)9-6-10(15)14(8(2)3)12(9)18/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQSWUEWNBNZSJNF-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.32
Rot. Bonds6

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

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid (PubChem CID 61008700) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
PubChem CID61008700
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H20N2O4/c1-4-5-13(7-11(16)17)9-6-10(15)14(8(2)3)12(9)18/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQSWUEWNBNZSJNF-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.32
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)-propylamino]acetic acid?
The IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid (CID 61008700) is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid is CCCN(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)-propylamino]acetic acid?
The InChIKey is QSWUEWNBNZSJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-5-13(7-11(16)17)9-6-10(15)14(8(2)3)12(9)18/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid?
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.32, 6 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)-propylamino]acetic acid is sourced from PubChem (CID 61008700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).