ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate

C11H22N2O2 — CID 63164459

IUPACethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(N(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-4-15-11(14)6-8-13-7-5-10(9-13)12(2)3/h10H,4-9H2,1-3H3
InChIKeySHUZUICBNOQOLM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds5

About ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate

ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate (PubChem CID 63164459) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
PubChem CID63164459
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(N(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-4-15-11(14)6-8-13-7-5-10(9-13)12(2)3/h10H,4-9H2,1-3H3
InChIKeySHUZUICBNOQOLM-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate 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

ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
ethyl 3-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 60705415
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
CID 63165725
ethyl 3-[(4aS,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]propanoate
CID 124721470
1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoate
CID 25113400
1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
CID 63532634
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate (CID 63164459) is ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate is CCOC(=O)CCN1CCC(N(C)C)C1.
What is the InChIKey of ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
The InChIKey is SHUZUICBNOQOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-15-11(14)6-8-13-7-5-10(9-13)12(2)3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate?
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 63164459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).