methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate

C11H22N2O2 — CID 62977346

IUPACmethyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NCC(C)C)CCN(C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)7-12-11(10(14)15-4)5-6-13(3)8-11/h9,12H,5-8H2,1-4H3
InChIKeyOCAQSVPMUAQXRE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds4

About methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate

methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate (PubChem CID 62977346) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
PubChem CID62977346
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NCC(C)C)CCN(C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)7-12-11(10(14)15-4)5-6-13(3)8-11/h9,12H,5-8H2,1-4H3
InChIKeyOCAQSVPMUAQXRE-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate (CID 62977346) is methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate is COC(=O)C1(NCC(C)C)CCN(C)C1.
What is the InChIKey of methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate?
The InChIKey is OCAQSVPMUAQXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)7-12-11(10(14)15-4)5-6-13(3)8-11/h9,12H,5-8H2,1-4H3.
What are the key properties of methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate?
methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 62977346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).