ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride

C14H20ClNO3 — CID 56829770

IUPACethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
SMILESCCOC(=O)c1ccccc1OCC1CCNC1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-2-17-14(16)12-5-3-4-6-13(12)18-10-11-7-8-15-9-11;/h3-6,11,15H,2,7-10H2,1H3;1H
InChIKeyDFYRLTKGVMFWLQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride

ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride (PubChem CID 56829770) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
PubChem CID56829770
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
SMILESCCOC(=O)c1ccccc1OCC1CCNC1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-2-17-14(16)12-5-3-4-6-13(12)18-10-11-7-8-15-9-11;/h3-6,11,15H,2,7-10H2,1H3;1H
InChIKeyDFYRLTKGVMFWLQ-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
CID 86321614
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
ethyl 2-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86320486
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride?
The IUPAC name of ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride (CID 56829770) is ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride.
What is the SMILES notation for ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride?
The canonical SMILES for ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride is CCOC(=O)c1ccccc1OCC1CCNC1.Cl.
What is the InChIKey of ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride?
The InChIKey is DFYRLTKGVMFWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-2-17-14(16)12-5-3-4-6-13(12)18-10-11-7-8-15-9-11;/h3-6,11,15H,2,7-10H2,1H3;1H.
What are the key properties of ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride?
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride is sourced from PubChem (CID 56829770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).