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

C12H20N2O4 — CID 60840305

IUPAC2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid
SMILESCC(C)N1C(=O)CC(N(CC(=O)O)C(C)C)C1=O
InChIInChI=1S/C12H20N2O4/c1-7(2)13(6-11(16)17)9-5-10(15)14(8(3)4)12(9)18/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyVGSIJXDQRKHYBS-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.32
Rot. Bonds5

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

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid (PubChem CID 60840305) 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)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid
PubChem CID60840305
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid
SMILESCC(C)N1C(=O)CC(N(CC(=O)O)C(C)C)C1=O
InChIInChI=1S/C12H20N2O4/c1-7(2)13(6-11(16)17)9-5-10(15)14(8(3)4)12(9)18/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyVGSIJXDQRKHYBS-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

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)-ethylamino]acetic acid
CID 61011616
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propylamino]acetic acid
CID 61008700
2-[2-(dimethylamino)ethyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]acetic acid
CID 107426067
3-[cyclopropyl-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 54925654
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)-(2-methylpropyl)amino]acetic acid
CID 63066080
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-cyclopentylamino]acetic acid
CID 60834441
2-[(2-amino-2-oxoethyl)-(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
CID 107440384
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
3-[(3-methyl-2-oxobutyl)disulfanyl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 130352569
2-[1-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371520

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid (CID 60840305) is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid is CC(C)N1C(=O)CC(N(CC(=O)O)C(C)C)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid?
The InChIKey is VGSIJXDQRKHYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-7(2)13(6-11(16)17)9-5-10(15)14(8(3)4)12(9)18/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid?
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-propan-2-ylamino]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.32, 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)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60840305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).