ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate

C11H22N2O2 — CID 60856206

IUPACethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
SMILESCCOC(=O)CNCC1CCN(CC)C1
InChIInChI=1S/C11H22N2O2/c1-3-13-6-5-10(9-13)7-12-8-11(14)15-4-2/h10,12H,3-9H2,1-2H3
InChIKeyFKBPMZKCWFMIDI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds6

About ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate

ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate (PubChem CID 60856206) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
PubChem CID60856206
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
SMILESCCOC(=O)CNCC1CCN(CC)C1
InChIInChI=1S/C11H22N2O2/c1-3-13-6-5-10(9-13)7-12-8-11(14)15-4-2/h10,12H,3-9H2,1-2H3
InChIKeyFKBPMZKCWFMIDI-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54955961
ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate
CID 103245845
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]prop-2-en-1-amine
CID 60872237
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
CID 114492830
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate (CID 60856206) is ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate is CCOC(=O)CNCC1CCN(CC)C1.
What is the InChIKey of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate?
The InChIKey is FKBPMZKCWFMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13-6-5-10(9-13)7-12-8-11(14)15-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate?
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate is sourced from PubChem (CID 60856206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).