ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate

C16H23NO2 — CID 139211005

IUPACethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(CCCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15-10-12-17(13-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyZZRLJGMTAAOYEM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds6

About ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate

ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate (PubChem CID 139211005) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
PubChem CID139211005
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(CCCc2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-2-19-16(18)15-10-12-17(13-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKeyZZRLJGMTAAOYEM-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
ethyl (3R)-1-[3-(4-phenylmethoxyphenoxy)propyl]piperidine-3-carboxylate
CID 40800660
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
ethyl 1-[2-[2-(2-benzylphenyl)ethoxy]ethyl]piperidine-3-carboxylate
CID 57031215
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
ethyl 1-[3-(1-phenylindol-2-yl)propyl]piperidine-3-carboxylate
CID 10271712
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
CID 22668702

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate (CID 139211005) is ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CCN(CCCc2ccccc2)C1.
What is the InChIKey of ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate?
The InChIKey is ZZRLJGMTAAOYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-19-16(18)15-10-12-17(13-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3.
What are the key properties of ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate?
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 139211005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).