ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate

C13H24N2O5 — CID 57470192

IUPACethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-7-19-11(17)9-14(5)10(16)8-15(6)12(18)20-13(2,3)4/h7-9H2,1-6H3
InChIKeyBEVXVKGBKJIRGN-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.87
Rot. Bonds5

About ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate

ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate (PubChem CID 57470192) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate
PubChem CID57470192
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-7-19-11(17)9-14(5)10(16)8-15(6)12(18)20-13(2,3)4/h7-9H2,1-6H3
InChIKeyBEVXVKGBKJIRGN-UHFFFAOYSA-N
XLogP0.87
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate (CID 57470192) is ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate is CCOC(=O)CN(C)C(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate?
The InChIKey is BEVXVKGBKJIRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-7-19-11(17)9-14(5)10(16)8-15(6)12(18)20-13(2,3)4/h7-9H2,1-6H3.
What are the key properties of ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate?
ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate has a molecular weight of 288.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 57470192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).