ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

C11H21NO4 — CID 61498958

IUPACethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
SMILESCCOC(=O)C(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-15-10(14)8(2)12-7-9(13)16-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeySPKDJFPBBAFEMW-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.87
Rot. Bonds5

About ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate

ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate (PubChem CID 61498958) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
PubChem CID61498958
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
SMILESCCOC(=O)C(C)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-15-10(14)8(2)12-7-9(13)16-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeySPKDJFPBBAFEMW-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate with MolForge

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Related Compounds

tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
tert-butyl 2-[[(2R)-1-oxo-1-(prop-2-enoxyamino)propan-2-yl]amino]acetate
CID 166646983
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416604
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
3-[(1-ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498801
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate (CID 61498958) is ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate is CCOC(=O)C(C)NCC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
The InChIKey is SPKDJFPBBAFEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-15-10(14)8(2)12-7-9(13)16-11(3,4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate?
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate has a molecular weight of 231.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 61498958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).