methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate

C10H20N2O2 — CID 83847982

IUPACmethyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
SMILESCCNC1CN(C)C(C)C1C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-5-11-8-6-12(3)7(2)9(8)10(13)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyMMUYEEUOHMTVLB-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate

methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate (PubChem CID 83847982) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
PubChem CID83847982
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate
SMILESCCNC1CN(C)C(C)C1C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-5-11-8-6-12(3)7(2)9(8)10(13)14-4/h7-9,11H,5-6H2,1-4H3
InChIKeyMMUYEEUOHMTVLB-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83847043
dimethyl 3-ethyl-6-methylcyclohexane-1,2-dicarboxylate
CID 151130651
methyl 5-(ethylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylate
CID 83990547
methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071449
(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine
CID 122696200
2-(ethylamino)cyclopropane-1-carboxylic acid
CID 117027588
methyl 2-[3-(ethylamino)-5-methylpiperidin-1-yl]acetate
CID 83990662
methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071451
methyl 1-ethyl-3-methylaziridine-2-carboxylate
CID 45090005
methyl (1S,2R,5R)-2-hydroxy-5-methylcyclopentane-1-carboxylate
CID 131850108
methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
CID 83990533
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 46899996

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate (CID 83847982) is methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate is CCNC1CN(C)C(C)C1C(=O)OC.
What is the InChIKey of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
The InChIKey is MMUYEEUOHMTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-11-8-6-12(3)7(2)9(8)10(13)14-4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate?
methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylamino)-1,2-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 83847982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).