ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate

C12H25NO4 — CID 63932802

IUPACethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)CC(O)COCC
InChIInChI=1S/C12H25NO4/c1-4-7-13(9-12(15)17-6-3)8-11(14)10-16-5-2/h11,14H,4-10H2,1-3H3
InChIKeyAVVOVBRLOPUOJM-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.66
Rot. Bonds10

About ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate

ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate (PubChem CID 63932802) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
PubChem CID63932802
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)CC(O)COCC
InChIInChI=1S/C12H25NO4/c1-4-7-13(9-12(15)17-6-3)8-11(14)10-16-5-2/h11,14H,4-10H2,1-3H3
InChIKeyAVVOVBRLOPUOJM-UHFFFAOYSA-N
XLogP0.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-[2-[[3-[bis(2-ethoxy-2-oxoethyl)amino]-2-hydroxypropoxy]methyl]-3-[3-(dipropylamino)-2-hydroxypropoxy]-2-[[3-(dipropylamino)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 58436351
ethyl 3-hydroxy-4-[[2-(methylamino)-2-oxoethyl]-propylamino]butanoate
CID 82770317
propyl 2-[[3-[bis(2-oxo-2-propoxyethyl)amino]-2-hydroxypropyl]-(2-oxo-2-propoxyethyl)amino]acetate
CID 91698004
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
CID 63931982
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
ethyl 2-[[2-oxo-2-(propylamino)ethyl]-propylamino]acetate
CID 60965392
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]butanoate
CID 62027143
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 4-[bis(2-hydroxydecyl)amino]butanoate
CID 169005673

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate (CID 63932802) is ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate is CCCN(CC(=O)OCC)CC(O)COCC.
What is the InChIKey of ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate?
The InChIKey is AVVOVBRLOPUOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-4-7-13(9-12(15)17-6-3)8-11(14)10-16-5-2/h11,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate?
ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate has a molecular weight of 247.33 g/mol, XLogP of 0.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate is sourced from PubChem (CID 63932802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).