ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate

C13H25NO3 — CID 65166216

IUPACethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
SMILESCCCN(CCC1CCCO1)CC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-8-14(11-13(15)16-4-2)9-7-12-6-5-10-17-12/h12H,3-11H2,1-2H3
InChIKeyPGCNKVAMMPQJLS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds8

About ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate

ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate (PubChem CID 65166216) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
PubChem CID65166216
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
SMILESCCCN(CCC1CCCO1)CC(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-8-14(11-13(15)16-4-2)9-7-12-6-5-10-17-12/h12H,3-11H2,1-2H3
InChIKeyPGCNKVAMMPQJLS-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate 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 2-[3-(oxolan-2-yl)propyl-propylamino]acetate
CID 65166215
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-[cyclohexylmethyl(propyl)amino]acetate
CID 61238525
N'-hydroxy-2-[3-(oxolan-2-yl)propyl-propylamino]ethanimidamide
CID 77057915
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
ethyl 4-[methyl(oxolan-2-ylmethyl)amino]-3-oxobutanoate
CID 63897751
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
hexyl 3-(oxolan-2-yl)propanoate
CID 78876896
ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
CID 62027423

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?
The IUPAC name of ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate (CID 65166216) is ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate is CCCN(CCC1CCCO1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?
The InChIKey is PGCNKVAMMPQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-8-14(11-13(15)16-4-2)9-7-12-6-5-10-17-12/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate?
ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate is sourced from PubChem (CID 65166216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).