ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate

C15H30N2O3 — CID 90859815

IUPACethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CN(C)CCOC(C)(C)C)N1
InChIInChI=1S/C15H30N2O3/c1-6-19-14(18)13-8-7-12(16-13)11-17(5)9-10-20-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyXSLHQLKKNALFMS-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds7

About ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate

ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate (PubChem CID 90859815) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate
PubChem CID90859815
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCC(CN(C)CCOC(C)(C)C)N1
InChIInChI=1S/C15H30N2O3/c1-6-19-14(18)13-8-7-12(16-13)11-17(5)9-10-20-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyXSLHQLKKNALFMS-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
CID 123893678
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
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
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate (CID 90859815) is ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCC(CN(C)CCOC(C)(C)C)N1.
What is the InChIKey of ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate?
The InChIKey is XSLHQLKKNALFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-19-14(18)13-8-7-12(16-13)11-17(5)9-10-20-15(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate?
ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 90859815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).