ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate

C11H23NO4 — CID 103489818

IUPACethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
SMILESCCOCC(C)OCC(NC)C(=O)OCC
InChIInChI=1S/C11H23NO4/c1-5-14-7-9(3)16-8-10(12-4)11(13)15-6-2/h9-10,12H,5-8H2,1-4H3
InChIKeyQDNMUEYQBIBRHH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.58
Rot. Bonds9

About ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate

ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate (PubChem CID 103489818) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
PubChem CID103489818
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
SMILESCCOCC(C)OCC(NC)C(=O)OCC
InChIInChI=1S/C11H23NO4/c1-5-14-7-9(3)16-8-10(12-4)11(13)15-6-2/h9-10,12H,5-8H2,1-4H3
InChIKeyQDNMUEYQBIBRHH-UHFFFAOYSA-N
XLogP0.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
CID 103489799
ethyl 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)propanoate
CID 102722829
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
ethyl (2S)-2-(methylamino)-5-oxohexanoate
CID 118582584
N-(2-aminoethyl)-2-(1-ethoxypropan-2-yloxy)acetamide
CID 103487058
ethyl (2S)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87974217
methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984
4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
CID 103489985
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731
(2R)-1,2-diethoxypropane
CID 92973991
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate?
The IUPAC name of ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate (CID 103489818) is ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate?
The canonical SMILES for ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate is CCOCC(C)OCC(NC)C(=O)OCC.
What is the InChIKey of ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate?
The InChIKey is QDNMUEYQBIBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-14-7-9(3)16-8-10(12-4)11(13)15-6-2/h9-10,12H,5-8H2,1-4H3.
What are the key properties of ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate?
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate has a molecular weight of 233.31 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate is sourced from PubChem (CID 103489818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).