methyl 3-(3-ethylpyrrolidin-1-yl)propanoate

C10H19NO2 — CID 115688532

IUPACmethyl 3-(3-ethylpyrrolidin-1-yl)propanoate
SMILESCCC1CCN(CCC(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-3-9-4-6-11(8-9)7-5-10(12)13-2/h9H,3-8H2,1-2H3
InChIKeyNXLXYSKKFVIDAH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds4

About methyl 3-(3-ethylpyrrolidin-1-yl)propanoate

methyl 3-(3-ethylpyrrolidin-1-yl)propanoate (PubChem CID 115688532) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-(3-ethylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-ethylpyrrolidin-1-yl)propanoate
PubChem CID115688532
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-(3-ethylpyrrolidin-1-yl)propanoate
SMILESCCC1CCN(CCC(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-3-9-4-6-11(8-9)7-5-10(12)13-2/h9H,3-8H2,1-2H3
InChIKeyNXLXYSKKFVIDAH-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydrazinyl 3-(3-ethylpiperidin-1-yl)propanoate
CID 66339133
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
ethyl 2-(3-ethylpyrrolidin-1-yl)acetate
CID 115688617
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
methyl 3-(4-cyanopiperidin-1-yl)propanoate
CID 62077331
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
tert-butyl 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 115643028
methyl 3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoate
CID 95154053
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
4-(4-ethylpiperidin-1-yl)butan-2-one
CID 20686954
methyl 3-[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]propanoate
CID 129374649

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethylpyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(3-ethylpyrrolidin-1-yl)propanoate (CID 115688532) is methyl 3-(3-ethylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3-ethylpyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(3-ethylpyrrolidin-1-yl)propanoate is CCC1CCN(CCC(=O)OC)C1.
What is the InChIKey of methyl 3-(3-ethylpyrrolidin-1-yl)propanoate?
The InChIKey is NXLXYSKKFVIDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9-4-6-11(8-9)7-5-10(12)13-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 3-(3-ethylpyrrolidin-1-yl)propanoate?
methyl 3-(3-ethylpyrrolidin-1-yl)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 115688532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).