ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate

C13H26N2O3 — CID 55084778

IUPACethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCN(C(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)13(14-7-9-17-4)6-8-15(10-13)11(2)3/h11,14H,5-10H2,1-4H3
InChIKeyCPGQJMFCMKYRSA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds7

About ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate

ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 55084778) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID55084778
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCN(C(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)13(14-7-9-17-4)6-8-15(10-13)11(2)3/h11,14H,5-10H2,1-4H3
InChIKeyCPGQJMFCMKYRSA-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
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 ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate (CID 55084778) is ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate is CCOC(=O)C1(NCCOC)CCN(C(C)C)C1.
What is the InChIKey of ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is CPGQJMFCMKYRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-12(16)13(14-7-9-17-4)6-8-15(10-13)11(2)3/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate?
ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethylamino)-1-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 55084778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).