methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate

C12H24N2O2 — CID 79414420

IUPACmethyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate
SMILESCNCC1CCN(C(C)C(C)C(=O)OC)C1
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16-4)10(2)14-6-5-11(8-14)7-13-3/h9-11,13H,5-8H2,1-4H3
InChIKeyDORWFCLYYTUSLA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate

methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate (PubChem CID 79414420) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate
PubChem CID79414420
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate
SMILESCNCC1CCN(C(C)C(C)C(=O)OC)C1
InChIInChI=1S/C12H24N2O2/c1-9(12(15)16-4)10(2)14-6-5-11(8-14)7-13-3/h9-11,13H,5-8H2,1-4H3
InChIKeyDORWFCLYYTUSLA-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
CID 79406986
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103498157
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
N-methyl-1-(1-pentan-2-ylpyrrolidin-3-yl)methanamine
CID 62511893

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate?
The IUPAC name of methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate (CID 79414420) is methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate?
The canonical SMILES for methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate is CNCC1CCN(C(C)C(C)C(=O)OC)C1.
What is the InChIKey of methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate?
The InChIKey is DORWFCLYYTUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(12(15)16-4)10(2)14-6-5-11(8-14)7-13-3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate?
methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate is sourced from PubChem (CID 79414420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).