ethyl 3-(2-methylpyrrolidin-1-yl)propanoate

C10H19NO2 — CID 19888309

IUPACethyl 3-(2-methylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC1C
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)6-8-11-7-4-5-9(11)2/h9H,3-8H2,1-2H3
InChIKeyUOXMKHXYSRYBBL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds4

About ethyl 3-(2-methylpyrrolidin-1-yl)propanoate

ethyl 3-(2-methylpyrrolidin-1-yl)propanoate (PubChem CID 19888309) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 3-(2-methylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methylpyrrolidin-1-yl)propanoate
PubChem CID19888309
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 3-(2-methylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC1C
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)6-8-11-7-4-5-9(11)2/h9H,3-8H2,1-2H3
InChIKeyUOXMKHXYSRYBBL-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2-methylpyrrolidin-1-yl)propanoate (CID 19888309) is ethyl 3-(2-methylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2-methylpyrrolidin-1-yl)propanoate is CCOC(=O)CCN1CCCC1C.
What is the InChIKey of ethyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The InChIKey is UOXMKHXYSRYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)6-8-11-7-4-5-9(11)2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(2-methylpyrrolidin-1-yl)propanoate?
ethyl 3-(2-methylpyrrolidin-1-yl)propanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 19888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).