methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate

C11H22N2O2 — CID 106024172

IUPACmethyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
SMILESCCC(NCC1CCCN1C)C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-4-10(11(14)15-3)12-8-9-6-5-7-13(9)2/h9-10,12H,4-8H2,1-3H3
InChIKeyXWEDAECLKIXYSM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate

methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate (PubChem CID 106024172) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
PubChem CID106024172
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
SMILESCCC(NCC1CCCN1C)C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-4-10(11(14)15-3)12-8-9-6-5-7-13(9)2/h9-10,12H,4-8H2,1-3H3
InChIKeyXWEDAECLKIXYSM-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

H-Ala-Gly-Pro-Ala-OMe
CID 155536309
methyl 2-{[(2S)-pyrrolidin-2-yl]formamido}acetate
CID 11622459
Methyl prolylglycinate
CID 13273159
Tetraethylammonium prolinate
CID 129856654
methyl (2S)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715441
[(3R,5S)-5-methoxycarbonyl-1-methylpyrrolidin-1-ium-3-yl]azanium
CID 72200502
methyl 2-[[(2S)-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]acetate
CID 16082435
methyl (2S)-2-[[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]propanoate
CID 16082436
methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61164930
Glycyl-l-prolylglycine methyl ester
CID 129809276
Tetramethylammonium prolinate
CID 129856655
methyl (2S)-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate
CID 135037503

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
The IUPAC name of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate (CID 106024172) is methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate is CCC(NCC1CCCN1C)C(=O)OC.
What is the InChIKey of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
The InChIKey is XWEDAECLKIXYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-10(11(14)15-3)12-8-9-6-5-7-13(9)2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate?
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate is sourced from PubChem (CID 106024172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).