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

C12H25NO4 — CID 103489778

IUPACethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
SMILESCCOCC(C)OCC(C)(NC)C(=O)OCC
InChIInChI=1S/C12H25NO4/c1-6-15-8-10(3)17-9-12(4,13-5)11(14)16-7-2/h10,13H,6-9H2,1-5H3
InChIKeyNYCDMGVLXXDRQC-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.97
Rot. Bonds9

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

ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate (PubChem CID 103489778) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
PubChem CID103489778
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
SMILESCCOCC(C)OCC(C)(NC)C(=O)OCC
InChIInChI=1S/C12H25NO4/c1-6-15-8-10(3)17-9-12(4,13-5)11(14)16-7-2/h10,13H,6-9H2,1-5H3
InChIKeyNYCDMGVLXXDRQC-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
CID 103489783
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158
ethyl 2-(cyclopropylamino)-2-methyl-3-pentan-2-yloxypropanoate
CID 102984149
ethyl 4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanoate
CID 107771791
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate?
The IUPAC name of ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate (CID 103489778) is ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate?
The canonical SMILES for ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate is CCOCC(C)OCC(C)(NC)C(=O)OCC.
What is the InChIKey of ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate?
The InChIKey is NYCDMGVLXXDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-6-15-8-10(3)17-9-12(4,13-5)11(14)16-7-2/h10,13H,6-9H2,1-5H3.
What are the key properties of ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate?
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate has a molecular weight of 247.33 g/mol, XLogP of 0.97, 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-methyl-2-(methylamino)propanoate is sourced from PubChem (CID 103489778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).