methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate

C8H13NO3 — CID 67459237

IUPACmethyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
SMILESCCN1C(=O)CCC1C(=O)OC
InChIInChI=1S/C8H13NO3/c1-3-9-6(8(11)12-2)4-5-7(9)10/h6H,3-5H2,1-2H3
InChIKeyZDOOKTHYXCECDI-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds2

About methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate

methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 67459237) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
PubChem CID67459237
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
SMILESCCN1C(=O)CCC1C(=O)OC
InChIInChI=1S/C8H13NO3/c1-3-9-6(8(11)12-2)4-5-7(9)10/h6H,3-5H2,1-2H3
InChIKeyZDOOKTHYXCECDI-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
CID 10583885
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
methyl (2S)-1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate;sulfane
CID 158958204
methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
CID 10944700
methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
CID 121208947
methyl 1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxopyrrolidine-2-carboxylate
CID 14254900
methyl (2S)-5-oxo-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 129495138
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
CID 153361350
methyl (2S)-1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 102351523
methyl 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10570588

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate (CID 67459237) is methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate is CCN1C(=O)CCC1C(=O)OC.
What is the InChIKey of methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ZDOOKTHYXCECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-9-6(8(11)12-2)4-5-7(9)10/h6H,3-5H2,1-2H3.
What are the key properties of methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate?
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 67459237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).