4-methoxybutyl pyrrolidine-1-carboxylate

C10H19NO3 — CID 172841954

IUPAC4-methoxybutyl pyrrolidine-1-carboxylate
SMILESCOCCCCOC(=O)N1CCCC1
InChIInChI=1S/C10H19NO3/c1-13-8-4-5-9-14-10(12)11-6-2-3-7-11/h2-9H2,1H3
InChIKeyWXGOEZLKWQEWHQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.65
Rot. Bonds5

About 4-methoxybutyl pyrrolidine-1-carboxylate

4-methoxybutyl pyrrolidine-1-carboxylate (PubChem CID 172841954) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-methoxybutyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name4-methoxybutyl pyrrolidine-1-carboxylate
PubChem CID172841954
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-methoxybutyl pyrrolidine-1-carboxylate
SMILESCOCCCCOC(=O)N1CCCC1
InChIInChI=1S/C10H19NO3/c1-13-8-4-5-9-14-10(12)11-6-2-3-7-11/h2-9H2,1H3
InChIKeyWXGOEZLKWQEWHQ-UHFFFAOYSA-N
XLogP1.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methoxybutyl pyrrolidine-1-carboxylate?
The IUPAC name of 4-methoxybutyl pyrrolidine-1-carboxylate (CID 172841954) is 4-methoxybutyl pyrrolidine-1-carboxylate.
What is the SMILES notation for 4-methoxybutyl pyrrolidine-1-carboxylate?
The canonical SMILES for 4-methoxybutyl pyrrolidine-1-carboxylate is COCCCCOC(=O)N1CCCC1.
What is the InChIKey of 4-methoxybutyl pyrrolidine-1-carboxylate?
The InChIKey is WXGOEZLKWQEWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-8-4-5-9-14-10(12)11-6-2-3-7-11/h2-9H2,1H3.
What are the key properties of 4-methoxybutyl pyrrolidine-1-carboxylate?
4-methoxybutyl pyrrolidine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 172841954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).