tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate

C12H20N2O4 — CID 167630404

IUPACtert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate
SMILESCC(C)(C)OC(=O)CC1CC(=O)N(CCN)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-10(16)7-8-6-9(15)14(5-4-13)11(8)17/h8H,4-7,13H2,1-3H3
InChIKeyOLKSASSWLIRMOD-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.05
Rot. Bonds4

About tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate

tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate (PubChem CID 167630404) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate
PubChem CID167630404
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate
SMILESCC(C)(C)OC(=O)CC1CC(=O)N(CCN)C1=O
InChIInChI=1S/C12H20N2O4/c1-12(2,3)18-10(16)7-8-6-9(15)14(5-4-13)11(8)17/h8H,4-7,13H2,1-3H3
InChIKeyOLKSASSWLIRMOD-UHFFFAOYSA-N
XLogP0.05
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117
tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
CID 102523398
tert-butyl 2-(2,3-dioxocyclopentyl)acetate
CID 91496821
1-[5-[4-[2-[2,5-dioxo-3-[(E)-2,4,4-trimethylpent-2-enyl]pyrrolidin-1-yl]ethyl]piperazin-1-yl]pentyl]-3-[(E)-2,4,4-trimethylpent-2-enyl]pyrrolidine-2,5-dione
CID 161103918
ditert-butyl (2S,4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15516009
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
tert-butyl 2-[1-(2-amino-2-sulfanylideneethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-5-yl]acetate
CID 140528390
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
tert-butyl 2-(2-oxo-3-prop-2-ynylcyclopentyl)acetate
CID 122443653

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate?
The IUPAC name of tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate (CID 167630404) is tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate is CC(C)(C)OC(=O)CC1CC(=O)N(CCN)C1=O.
What is the InChIKey of tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate?
The InChIKey is OLKSASSWLIRMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2,3)18-10(16)7-8-6-9(15)14(5-4-13)11(8)17/h8H,4-7,13H2,1-3H3.
What are the key properties of tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate?
tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate has a molecular weight of 256.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate is sourced from PubChem (CID 167630404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).