ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate

C12H20N2O4 — CID 62011647

IUPACethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O4/c1-3-18-12(17)6-8-13(2)9-11(16)14-7-4-5-10(14)15/h3-9H2,1-2H3
InChIKeyNTGMZHARSLMKQH-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.02
Rot. Bonds6

About ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate

ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate (PubChem CID 62011647) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
PubChem CID62011647
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CC(=O)N1CCCC1=O
InChIInChI=1S/C12H20N2O4/c1-3-18-12(17)6-8-13(2)9-11(16)14-7-4-5-10(14)15/h3-9H2,1-2H3
InChIKeyNTGMZHARSLMKQH-UHFFFAOYSA-N
XLogP0.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-aminoacetyl)pyrrolidin-2-one
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ethyl 2-ethenylidene-5-oxo-5-(2-oxopyrrolidin-1-yl)pentanoate
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1-[2-[azetidin-3-yl(ethyl)amino]acetyl]pyrrolidin-2-one
CID 66184308
ethyl 3-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010863
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55505462
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
1-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]pyrrolidin-2-one
CID 60691855
methyl 2-[cyclopentyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]acetate
CID 115536793
1-decanoylpyrrolidin-2-one
CID 11021000
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CID 79116132

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate (CID 62011647) is ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate is CCOC(=O)CCN(C)CC(=O)N1CCCC1=O.
What is the InChIKey of ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
The InChIKey is NTGMZHARSLMKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-18-12(17)6-8-13(2)9-11(16)14-7-4-5-10(14)15/h3-9H2,1-2H3.
What are the key properties of ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate?
ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate has a molecular weight of 256.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate is sourced from PubChem (CID 62011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).