methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate

C10H20N2O3 — CID 62977535

IUPACmethyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
SMILESCOCCNC1(C(=O)OC)CCN(C)C1
InChIInChI=1S/C10H20N2O3/c1-12-6-4-10(8-12,9(13)15-3)11-5-7-14-2/h11H,4-8H2,1-3H3
InChIKeySWAYWDJKRAZZAQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds5

About methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate

methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate (PubChem CID 62977535) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
PubChem CID62977535
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
SMILESCOCCNC1(C(=O)OC)CCN(C)C1
InChIInChI=1S/C10H20N2O3/c1-12-6-4-10(8-12,9(13)15-3)11-5-7-14-2/h11H,4-8H2,1-3H3
InChIKeySWAYWDJKRAZZAQ-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate (CID 62977535) is methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate is COCCNC1(C(=O)OC)CCN(C)C1.
What is the InChIKey of methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate?
The InChIKey is SWAYWDJKRAZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12-6-4-10(8-12,9(13)15-3)11-5-7-14-2/h11H,4-8H2,1-3H3.
What are the key properties of methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate?
methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate has a molecular weight of 216.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 62977535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).