methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate

C11H23NO4 — CID 103489799

IUPACmethyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
SMILESCCNC(COC(C)COCC)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-5-12-10(11(13)14-4)8-16-9(3)7-15-6-2/h9-10,12H,5-8H2,1-4H3
InChIKeyLCXRFPQNIVGFCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.58
Rot. Bonds9

About methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate

methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate (PubChem CID 103489799) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
PubChem CID103489799
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
SMILESCCNC(COC(C)COCC)C(=O)OC
InChIInChI=1S/C11H23NO4/c1-5-12-10(11(13)14-4)8-16-9(3)7-15-6-2/h9-10,12H,5-8H2,1-4H3
InChIKeyLCXRFPQNIVGFCJ-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

ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818
methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984
1-(1-ethoxypropan-2-yloxy)-N-ethyl-3-methylpentan-2-amine
CID 103487691
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
N-(2-aminoethyl)-2-(1-ethoxypropan-2-yloxy)acetamide
CID 103487058
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
CID 103489985
methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate
CID 63934425
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
CID 103489783
(2R)-1,2-diethoxypropane
CID 92973991
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate?
The IUPAC name of methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate (CID 103489799) is methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate?
The canonical SMILES for methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate is CCNC(COC(C)COCC)C(=O)OC.
What is the InChIKey of methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate?
The InChIKey is LCXRFPQNIVGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-12-10(11(13)14-4)8-16-9(3)7-15-6-2/h9-10,12H,5-8H2,1-4H3.
What are the key properties of methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate?
methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)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 methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate is sourced from PubChem (CID 103489799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).