methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate

C11H21NO2 — CID 51697486

IUPACmethyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
SMILESCC[C@@H]1CCCCN1CCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-3-10-6-4-5-8-12(10)9-7-11(13)14-2/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyLELFTYBWHOFPBS-SNVBAGLBSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds4

About methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate

methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate (PubChem CID 51697486) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
PubChem CID51697486
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
SMILESCC[C@@H]1CCCCN1CCC(=O)OC
InChIInChI=1S/C11H21NO2/c1-3-10-6-4-5-8-12(10)9-7-11(13)14-2/h10H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyLELFTYBWHOFPBS-SNVBAGLBSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-ethylpyrrolidin-1-yl)butanoate
CID 60973990
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
CID 166035351
methyl 2-bromo-3-(2-ethylpiperidin-1-yl)propanoate
CID 81100236
6-(2-ethylazepan-1-yl)hexanehydrazide
CID 113442029

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate (CID 51697486) is methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate is CC[C@@H]1CCCCN1CCC(=O)OC.
What is the InChIKey of methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate?
The InChIKey is LELFTYBWHOFPBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10-6-4-5-8-12(10)9-7-11(13)14-2/h10H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate?
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate is sourced from PubChem (CID 51697486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).