ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate

C12H23NO2 — CID 123893678

IUPACethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CC(C)(C)C)N1
InChIInChI=1S/C12H23NO2/c1-5-15-11(14)10-7-6-9(13-10)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyRPADMPCPZGENLJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate

ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate (PubChem CID 123893678) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
PubChem CID123893678
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CC(C)(C)C)N1
InChIInChI=1S/C12H23NO2/c1-5-15-11(14)10-7-6-9(13-10)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyRPADMPCPZGENLJ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S,5R)-5-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carboxylate
CID 162684709
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate
CID 90859815
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
CID 124671359
ethyl (5R)-5-(benzoyloxymethyl)pyrrolidine-2-carboxylate;hydrochloride
CID 131746053
ethyl (2R,5R)-5-(4-fluorophenyl)pyrrolidine-2-carboxylate
CID 131868991
ethyl (2R,5S)-5-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylate;hydrochloride
CID 168719738
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate (CID 123893678) is ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCC(CC(C)(C)C)N1.
What is the InChIKey of ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate?
The InChIKey is RPADMPCPZGENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-15-11(14)10-7-6-9(13-10)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate?
ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 123893678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).