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

C11H18N2O4 — CID 43638643

IUPAC2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCCC(CC)N1C(=O)CC(NCC(=O)O)C1=O
InChIInChI=1S/C11H18N2O4/c1-3-7(4-2)13-9(14)5-8(11(13)17)12-6-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyHVHNKXXHAIVIMJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds6

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

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid (PubChem CID 43638643) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
PubChem CID43638643
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid
SMILESCCC(CC)N1C(=O)CC(NCC(=O)O)C1=O
InChIInChI=1S/C11H18N2O4/c1-3-7(4-2)13-9(14)5-8(11(13)17)12-6-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyHVHNKXXHAIVIMJ-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-N,N-dimethylacetamide
CID 43638073
N-tert-butyl-2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetamide
CID 115356356
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
tert-butyl N-[2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]ethyl]carbamate
CID 104932989
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637991
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 114466994
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637986
1-pentan-3-yl-3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284447
3-(1H-imidazol-2-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 64529830
3-(1,2,4-oxadiazol-3-ylmethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 106397757

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid (CID 43638643) is 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid is CCC(CC)N1C(=O)CC(NCC(=O)O)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
The InChIKey is HVHNKXXHAIVIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-7(4-2)13-9(14)5-8(11(13)17)12-6-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid?
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]acetic acid is sourced from PubChem (CID 43638643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).