methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate

C9H18N2O2 — CID 123814429

IUPACmethyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate
SMILESCNCC1CCC(C)N1C(=O)OC
InChIInChI=1S/C9H18N2O2/c1-7-4-5-8(6-10-2)11(7)9(12)13-3/h7-8,10H,4-6H2,1-3H3
InChIKeySBLQNLLFKREPTG-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

About methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate

methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate (PubChem CID 123814429) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate
PubChem CID123814429
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate
SMILESCNCC1CCC(C)N1C(=O)OC
InChIInChI=1S/C9H18N2O2/c1-7-4-5-8(6-10-2)11(7)9(12)13-3/h7-8,10H,4-6H2,1-3H3
InChIKeySBLQNLLFKREPTG-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-6-(methylaminomethyl)piperidin-1-yl]ethanone
CID 166977860
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
methyl (2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylate
CID 89393988
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate (CID 123814429) is methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate is CNCC1CCC(C)N1C(=O)OC.
What is the InChIKey of methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate?
The InChIKey is SBLQNLLFKREPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-4-5-8(6-10-2)11(7)9(12)13-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate?
methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(methylaminomethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 123814429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).