methyl 1,4-dimethylpyrrolidine-3-carboxylate

C8H15NO2 — CID 18713590

IUPACmethyl 1,4-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CC1C
InChIInChI=1S/C8H15NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-7H,4-5H2,1-3H3
InChIKeyLCTYYXKRCCSBLL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.36
Rot. Bonds1

About methyl 1,4-dimethylpyrrolidine-3-carboxylate

methyl 1,4-dimethylpyrrolidine-3-carboxylate (PubChem CID 18713590) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 1,4-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethylpyrrolidine-3-carboxylate
PubChem CID18713590
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 1,4-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CC1C
InChIInChI=1S/C8H15NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-7H,4-5H2,1-3H3
InChIKeyLCTYYXKRCCSBLL-UHFFFAOYSA-N
XLogP0.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1,4-dimethylpyrrolidine-3-carboxylate (CID 18713590) is methyl 1,4-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1,4-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1,4-dimethylpyrrolidine-3-carboxylate is COC(=O)C1CN(C)CC1C.
What is the InChIKey of methyl 1,4-dimethylpyrrolidine-3-carboxylate?
The InChIKey is LCTYYXKRCCSBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 1,4-dimethylpyrrolidine-3-carboxylate?
methyl 1,4-dimethylpyrrolidine-3-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 18713590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).