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

C12H24N2O3 — CID 103239648

IUPACethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC1CCN(C)C1
InChIInChI=1S/C12H24N2O3/c1-3-17-12(15)10-16-7-5-13-8-11-4-6-14(2)9-11/h11,13H,3-10H2,1-2H3
InChIKeyXLXGTNSQDQFWJQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.11
Rot. Bonds8

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

ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate (PubChem CID 103239648) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
PubChem CID103239648
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC1CCN(C)C1
InChIInChI=1S/C12H24N2O3/c1-3-17-12(15)10-16-7-5-13-8-11-4-6-14(2)9-11/h11,13H,3-10H2,1-2H3
InChIKeyXLXGTNSQDQFWJQ-UHFFFAOYSA-N
XLogP0.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(((1-methylpyrrolidin-3-yl)methyl)amino)acetate
CID 60856447
2-ethoxy-N-((1-methylpyrrolidin-3-yl)methyl)acetamide
CID 63365315
Tert-butyl 2-(pyrrolidin-3-yloxy)acetate
CID 23384272
Ethyl 2-[(1-methylpyrrolidin-3-yl)methylamino]-2-oxoacetate
CID 60895567
[2-[Methyl(pyrrolidin-3-ylmethyl)amino]-2-oxoethyl] acetate
CID 67859280
tert-butyl 2-[(3R)-pyrrolidin-3-yloxy]acetate
CID 126620309
Ethane;ethyl 2-oxo-2-(pyrrolidin-3-ylmethylamino)acetate
CID 144154634
2-O-[(2R)-4-(methylamino)butan-2-yl] 1-O-(2-pyrrolidin-1-ylethyl) oxalate
CID 145068903
2-[2-[(2-Methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoethoxy]acetic acid
CID 55141137
Ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
Butyl 2-[(1-methylpyrrolidin-3-yl)methylamino]acetate
CID 60856449
Butyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60857358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate (CID 103239648) is ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate is CCOC(=O)COCCNCC1CCN(C)C1.
What is the InChIKey of ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate?
The InChIKey is XLXGTNSQDQFWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-17-12(15)10-16-7-5-13-8-11-4-6-14(2)9-11/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate?
ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate is sourced from PubChem (CID 103239648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).