methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate

C11H21NO3 — CID 106940991

IUPACmethyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
SMILESCOC(=O)CCCOCCC1CCNC1
InChIInChI=1S/C11H21NO3/c1-14-11(13)3-2-7-15-8-5-10-4-6-12-9-10/h10,12H,2-9H2,1H3
InChIKeyCOTZMBGIZOOAGP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds7

About methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate

methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate (PubChem CID 106940991) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
PubChem CID106940991
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
SMILESCOC(=O)CCCOCCC1CCNC1
InChIInChI=1S/C11H21NO3/c1-14-11(13)3-2-7-15-8-5-10-4-6-12-9-10/h10,12H,2-9H2,1H3
InChIKeyCOTZMBGIZOOAGP-UHFFFAOYSA-N
XLogP0.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate 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

(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
3-(2-propoxyethyl)pyrrolidine
CID 114796170
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
methyl 4-(pyrrolidin-3-ylmethylsulfamoyl)butanoate
CID 80563588
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
2-pyrrolidin-3-ylethyl N-methylcarbamate
CID 114796629
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate?
The IUPAC name of methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate (CID 106940991) is methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate.
What is the SMILES notation for methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate?
The canonical SMILES for methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate is COC(=O)CCCOCCC1CCNC1.
What is the InChIKey of methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate?
The InChIKey is COTZMBGIZOOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-11(13)3-2-7-15-8-5-10-4-6-12-9-10/h10,12H,2-9H2,1H3.
What are the key properties of methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate?
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate is sourced from PubChem (CID 106940991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).