ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate

C14H25N3O4 — CID 45177659

IUPACethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-5-21-12(19)7-15-13(20)16-10-6-11(18)17(8-10)9-14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,20)
InChIKeyRJODAQRFMALGKJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.50
Rot. Bonds5

About ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate

ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate (PubChem CID 45177659) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate
PubChem CID45177659
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-5-21-12(19)7-15-13(20)16-10-6-11(18)17(8-10)9-14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,20)
InChIKeyRJODAQRFMALGKJ-UHFFFAOYSA-N
XLogP0.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]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

Glycine, N-((2-oxo-1-pyrrolidinyl)acetyl)-, 2-(dimethylamino)ethyl ester
CID 3076736
methyl (2S)-2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]propanoate
CID 390732
methyl 2-[[(2S)-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]acetate
CID 16082435
methyl (2S)-2-[[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]propanoate
CID 16082436
Trimethyl-[2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetyl]oxyethyl]azanium
CID 3076738
Ethyl 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-2-fluoroacetate
CID 101045342
Methyl 2-(4-isopropyl-2,5-dioxo-1-imidazolidinyl)propanoate
CID 496400
ethyl N-{[(1-cycloheptyl-5-oxo-3-pyrrolidinyl)amino]carbonyl}glycinate
CID 45204932
Ethyl 2-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]propanoate
CID 72136241
ethyl (2S)-3-methyl-2-[(2-oxopyrrolidin-1-yl)methylamino]butanoate
CID 10421862
N-(2-oxo-1-pyrrolidineacetyl)-glycine ethyl ester
CID 14715871
Methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate
CID 21311670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate (CID 45177659) is ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate is CCOC(=O)CNC(=O)NC1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate?
The InChIKey is RJODAQRFMALGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-21-12(19)7-15-13(20)16-10-6-11(18)17(8-10)9-14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,20).
What are the key properties of ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate?
ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate has a molecular weight of 299.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]carbamoylamino]acetate is sourced from PubChem (CID 45177659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).