ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate

C10H19NO2 — CID 15635147

IUPACethyl 2-methyl-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(C)CN1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)9(2)8-11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyZTPCGCDBGYYBLR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds4

About ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate

ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate (PubChem CID 15635147) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-pyrrolidin-1-ylpropanoate
PubChem CID15635147
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-methyl-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(C)CN1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)9(2)8-11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyZTPCGCDBGYYBLR-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

Analyze ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(pyrrolidin-1-yl)propanoate
CID 89167
Ethyl 1-pyrrolidinepropanoate
CID 80590
Ethyl 3-(diethylamino)propionate
CID 79649
Ethyl N,N-dipropyl-beta-alaninate
CID 98749
Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate
CID 107233
Methyl 3-(diethylamino)-2-methylpropanoate
CID 3015533
1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
CID 89172
1-(3-Ethoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
CID 89174
Ethyl 3-(1-pyrrolidinyl)butanoate
CID 24975275
Ethyl 3-(dibutylamino)propanoate
CID 88373
Ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
N-(3-Ethoxy-3-oxopropyl)-N-(2-methylpropyl)-beta-alanine ethyl ester
CID 13216309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate?
The IUPAC name of ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate (CID 15635147) is ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate is CCOC(=O)C(C)CN1CCCC1.
What is the InChIKey of ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate?
The InChIKey is ZTPCGCDBGYYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)9(2)8-11-6-4-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate?
ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate 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 ethyl 2-methyl-3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 15635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).