methyl 1,4-diethylpyrrolidine-2-carboxylate

C10H19NO2 — CID 91166358

IUPACmethyl 1,4-diethylpyrrolidine-2-carboxylate
SMILESCCC1CC(C(=O)OC)N(CC)C1
InChIInChI=1S/C10H19NO2/c1-4-8-6-9(10(12)13-3)11(5-2)7-8/h8-9H,4-7H2,1-3H3
InChIKeyDMXMYOCGSJFARF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About methyl 1,4-diethylpyrrolidine-2-carboxylate

methyl 1,4-diethylpyrrolidine-2-carboxylate (PubChem CID 91166358) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 1,4-diethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-diethylpyrrolidine-2-carboxylate
PubChem CID91166358
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 1,4-diethylpyrrolidine-2-carboxylate
SMILESCCC1CC(C(=O)OC)N(CC)C1
InChIInChI=1S/C10H19NO2/c1-4-8-6-9(10(12)13-3)11(5-2)7-8/h8-9H,4-7H2,1-3H3
InChIKeyDMXMYOCGSJFARF-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 2-O-methyl 4-ethylpyrrolidine-1,2-dicarboxylate
CID 85446642
4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid
CID 141022460
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
2,4-bis(methoxycarbonyl)pyrrolidine-1-carboxylic acid
CID 154464394
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 154005523
4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 21251523
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-diethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1,4-diethylpyrrolidine-2-carboxylate (CID 91166358) is methyl 1,4-diethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1,4-diethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1,4-diethylpyrrolidine-2-carboxylate is CCC1CC(C(=O)OC)N(CC)C1.
What is the InChIKey of methyl 1,4-diethylpyrrolidine-2-carboxylate?
The InChIKey is DMXMYOCGSJFARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-8-6-9(10(12)13-3)11(5-2)7-8/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1,4-diethylpyrrolidine-2-carboxylate?
methyl 1,4-diethylpyrrolidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-diethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 91166358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).