ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate

C11H23NO4 — CID 60908986

IUPACethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-15-10(14)7-12-6-9(13)8-16-11(2,3)4/h9,12-13H,5-8H2,1-4H3
InChIKeyKRLCGYMPJHWEGX-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.32
Rot. Bonds7

About ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate

ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate (PubChem CID 60908986) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate
PubChem CID60908986
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-15-10(14)7-12-6-9(13)8-16-11(2,3)4/h9,12-13H,5-8H2,1-4H3
InChIKeyKRLCGYMPJHWEGX-UHFFFAOYSA-N
XLogP0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-hexoxy-2-hydroxypropyl)amino]acetate
CID 54937936
2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]-2-methylpropanamide
CID 61221150
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
ethyl 2-(2,2,3-trimethylbutylamino)acetate
CID 107095555
1-[(4-ethylcyclohexyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54880949
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
ethyl 2-(2,2-dimethylpentylamino)acetate
CID 115257590
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]-2-piperidin-1-ylpropanoate
CID 57295880
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate (CID 60908986) is ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate is CCOC(=O)CNCC(O)COC(C)(C)C.
What is the InChIKey of ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate?
The InChIKey is KRLCGYMPJHWEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-15-10(14)7-12-6-9(13)8-16-11(2,3)4/h9,12-13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate?
ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate has a molecular weight of 233.31 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetate is sourced from PubChem (CID 60908986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).