3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate

C11H21NO4 — CID 103403172

IUPAC3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate
SMILESCOCCOCCCOC(=O)C1CCCN1
InChIInChI=1S/C11H21NO4/c1-14-8-9-15-6-3-7-16-11(13)10-4-2-5-12-10/h10,12H,2-9H2,1H3
InChIKeyMQQKVHNRZXDCME-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.33
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate

3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate (PubChem CID 103403172) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate
PubChem CID103403172
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate
SMILESCOCCOCCCOC(=O)C1CCCN1
InChIInChI=1S/C11H21NO4/c1-14-8-9-15-6-3-7-16-11(13)10-4-2-5-12-10/h10,12H,2-9H2,1H3
InChIKeyMQQKVHNRZXDCME-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.33
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

heptyl pyrrolidine-2-carboxylate
CID 14777077
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
butyl (2S)-piperidine-2-carboxylate
CID 54130362
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
3-aminopropyl piperidine-2-carboxylate
CID 71376838
5-oxopentyl pyrrolidine-2-carboxylate
CID 150064601
octyl (2R)-piperidine-2-carboxylate
CID 11096763
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392
hexyl azocane-2-carboxylate
CID 114239843

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate (CID 103403172) is 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate is COCCOCCCOC(=O)C1CCCN1.
What is the InChIKey of 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate?
The InChIKey is MQQKVHNRZXDCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-14-8-9-15-6-3-7-16-11(13)10-4-2-5-12-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate?
3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 103403172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).