2-phenoxyethyl pyrrolidine-2-carboxylate

C13H17NO3 — CID 61302272

IUPAC2-phenoxyethyl pyrrolidine-2-carboxylate
SMILESO=C(OCCOc1ccccc1)C1CCCN1
InChIInChI=1S/C13H17NO3/c15-13(12-7-4-8-14-12)17-10-9-16-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyZIYARQZMRHEQMZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.36
Rot. Bonds5

About 2-phenoxyethyl pyrrolidine-2-carboxylate

2-phenoxyethyl pyrrolidine-2-carboxylate (PubChem CID 61302272) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-phenoxyethyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-phenoxyethyl pyrrolidine-2-carboxylate
PubChem CID61302272
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-phenoxyethyl pyrrolidine-2-carboxylate
SMILESO=C(OCCOc1ccccc1)C1CCCN1
InChIInChI=1S/C13H17NO3/c15-13(12-7-4-8-14-12)17-10-9-16-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
InChIKeyZIYARQZMRHEQMZ-UHFFFAOYSA-N
XLogP1.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
2-phenoxyethyl 2,3-dihydro-1H-indole-2-carboxylate
CID 61302855
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
(2-deuteriophenyl) (2S)-pyrrolidine-2-carboxylate
CID 91093438
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl pyrrolidine-2-carboxylate?
The IUPAC name of 2-phenoxyethyl pyrrolidine-2-carboxylate (CID 61302272) is 2-phenoxyethyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-phenoxyethyl pyrrolidine-2-carboxylate?
The canonical SMILES for 2-phenoxyethyl pyrrolidine-2-carboxylate is O=C(OCCOc1ccccc1)C1CCCN1.
What is the InChIKey of 2-phenoxyethyl pyrrolidine-2-carboxylate?
The InChIKey is ZIYARQZMRHEQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(12-7-4-8-14-12)17-10-9-16-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2.
What are the key properties of 2-phenoxyethyl pyrrolidine-2-carboxylate?
2-phenoxyethyl pyrrolidine-2-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 61302272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).