ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate

C11H23NO3 — CID 64663015

IUPACethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
SMILESCCCN(CCO)C(CC)C(=O)OCC
InChIInChI=1S/C11H23NO3/c1-4-7-12(8-9-13)10(5-2)11(14)15-6-3/h10,13H,4-9H2,1-3H3
InChIKeyUPJOGRGWQBNFOJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds8

About ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate

ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate (PubChem CID 64663015) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
PubChem CID64663015
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nameethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
SMILESCCCN(CCO)C(CC)C(=O)OCC
InChIInChI=1S/C11H23NO3/c1-4-7-12(8-9-13)10(5-2)11(14)15-6-3/h10,13H,4-9H2,1-3H3
InChIKeyUPJOGRGWQBNFOJ-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-hydroxyethyl(propyl)amino]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

ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
ethyl 2-[bis(cyanomethyl)amino]butanoate
CID 64661054
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
ethyl 2-[(1-amino-1-oxobutan-2-yl)-propylamino]acetate
CID 62899515
ethyl 2-[3-(dimethylamino)propyl-ethylamino]butanoate
CID 102994723
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate?
The IUPAC name of ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate (CID 64663015) is ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate?
The canonical SMILES for ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate is CCCN(CCO)C(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate?
The InChIKey is UPJOGRGWQBNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-7-12(8-9-13)10(5-2)11(14)15-6-3/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate?
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate is sourced from PubChem (CID 64663015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).