ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate

C12H20N2O4 — CID 55003925

IUPACethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CC(=O)N(CC)C1
InChIInChI=1S/C12H20N2O4/c1-4-14-7-9(6-10(14)15)12(17)13(3)8-11(16)18-5-2/h9H,4-8H2,1-3H3
InChIKeyPPLGXLZEBNVKRF-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.12
Rot. Bonds5

About ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate

ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate (PubChem CID 55003925) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate
PubChem CID55003925
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CC(=O)N(CC)C1
InChIInChI=1S/C12H20N2O4/c1-4-14-7-9(6-10(14)15)12(17)13(3)8-11(16)18-5-2/h9H,4-8H2,1-3H3
InChIKeyPPLGXLZEBNVKRF-UHFFFAOYSA-N
XLogP-0.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119661116
3-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008085
ethyl 2-[ethyl-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 61013053
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 54942390
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
CID 42402554
ethyl 2-[cyclopropyl-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetate
CID 61410023
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate (CID 55003925) is ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)C1CC(=O)N(CC)C1.
What is the InChIKey of ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate?
The InChIKey is PPLGXLZEBNVKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-4-14-7-9(6-10(14)15)12(17)13(3)8-11(16)18-5-2/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate?
ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate has a molecular weight of 256.30 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]acetate is sourced from PubChem (CID 55003925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).