benzyl 3-ethylpyrrolidine-3-carboxylate

C14H19NO2 — CID 63145292

IUPACbenzyl 3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OCc2ccccc2)CCNC1
InChIInChI=1S/C14H19NO2/c1-2-14(8-9-15-11-14)13(16)17-10-12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKeyRVYDGBNBZJVLDV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds4

About benzyl 3-ethylpyrrolidine-3-carboxylate

benzyl 3-ethylpyrrolidine-3-carboxylate (PubChem CID 63145292) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl 3-ethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethylpyrrolidine-3-carboxylate
PubChem CID63145292
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl 3-ethylpyrrolidine-3-carboxylate
SMILESCCC1(C(=O)OCc2ccccc2)CCNC1
InChIInChI=1S/C14H19NO2/c1-2-14(8-9-15-11-14)13(16)17-10-12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKeyRVYDGBNBZJVLDV-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
3-O'-benzyl 3-O-ethyl piperidine-3,3-dicarboxylate
CID 22078511
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
3-phenylpropyl 3-propylpyrrolidine-3-carboxylate
CID 63145986
benzyl carbonochloridate;(3S)-3-fluoro-3-methylpyrrolidine
CID 158673832
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939
4-(2-oxo-2-phenylmethoxyethyl)piperidine-4-carboxylic acid
CID 174550650
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
tert-butyl 3-benzylpyrrolidine-3-carboxylate
CID 156631335
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethylpyrrolidine-3-carboxylate?
The IUPAC name of benzyl 3-ethylpyrrolidine-3-carboxylate (CID 63145292) is benzyl 3-ethylpyrrolidine-3-carboxylate.
What is the SMILES notation for benzyl 3-ethylpyrrolidine-3-carboxylate?
The canonical SMILES for benzyl 3-ethylpyrrolidine-3-carboxylate is CCC1(C(=O)OCc2ccccc2)CCNC1.
What is the InChIKey of benzyl 3-ethylpyrrolidine-3-carboxylate?
The InChIKey is RVYDGBNBZJVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(8-9-15-11-14)13(16)17-10-12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3.
What are the key properties of benzyl 3-ethylpyrrolidine-3-carboxylate?
benzyl 3-ethylpyrrolidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 63145292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).