methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate

C10H16N2O4 — CID 43636164

IUPACmethyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
SMILESCCCN1C(=O)CC(NCC(=O)OC)C1=O
InChIInChI=1S/C10H16N2O4/c1-3-4-12-8(13)5-7(10(12)15)11-6-9(14)16-2/h7,11H,3-6H2,1-2H3
InChIKeyPIAHMZMBPGJNQG-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds5

About methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate

methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate (PubChem CID 43636164) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
PubChem CID43636164
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
SMILESCCCN1C(=O)CC(NCC(=O)OC)C1=O
InChIInChI=1S/C10H16N2O4/c1-3-4-12-8(13)5-7(10(12)15)11-6-9(14)16-2/h7,11H,3-6H2,1-2H3
InChIKeyPIAHMZMBPGJNQG-UHFFFAOYSA-N
XLogP-0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 113409809
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N,2,2-trimethylpropanamide
CID 106275866
3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
CID 79394599
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate (CID 43636164) is methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate is CCCN1C(=O)CC(NCC(=O)OC)C1=O.
What is the InChIKey of methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate?
The InChIKey is PIAHMZMBPGJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-4-12-8(13)5-7(10(12)15)11-6-9(14)16-2/h7,11H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate?
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate has a molecular weight of 228.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate is sourced from PubChem (CID 43636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).