tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate

C13H25NO2 — CID 115688615

IUPACtert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
SMILESCCC1CCN(C(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-6-11-7-8-14(9-11)10(2)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyMGGNGPNQXXJKFZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate

tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate (PubChem CID 115688615) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
PubChem CID115688615
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate
SMILESCCC1CCN(C(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-6-11-7-8-14(9-11)10(2)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyMGGNGPNQXXJKFZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
tert-butyl 2-(3-tert-butylpyrrolidin-1-yl)propanoate
CID 113415029
tert-butyl 2-(3-ethyl-4-methylpiperazin-1-yl)propanoate
CID 66338891
tert-butyl 2-(3-ethylpyrrolidin-1-yl)sulfonylpropanoate
CID 167747379
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
tert-butyl 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoate
CID 81199990
tert-butyl 2-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 64687530
tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate
CID 169290062
tert-butyl 3-(4-ethylcyclohexyl)-2-methyl-3-oxopropanoate
CID 66339441
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686
tert-butyl 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanoate
CID 64688531
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate (CID 115688615) is tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate is CCC1CCN(C(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate?
The InChIKey is MGGNGPNQXXJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-11-7-8-14(9-11)10(2)12(15)16-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate?
tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 115688615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).