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

C11H22N2O4 — CID 54418493

IUPACethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-5-16-9(14)8-13(7-6-12)10(15)17-11(2,3)4/h5-8,12H2,1-4H3
InChIKeyVZCZVIFYVLGVQJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.75
Rot. Bonds5

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

ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 54418493) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID54418493
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-5-16-9(14)8-13(7-6-12)10(15)17-11(2,3)4/h5-8,12H2,1-4H3
InChIKeyVZCZVIFYVLGVQJ-UHFFFAOYSA-N
XLogP0.75
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 54418493) is ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CCOC(=O)CN(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is VZCZVIFYVLGVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-16-9(14)8-13(7-6-12)10(15)17-11(2,3)4/h5-8,12H2,1-4H3.
What are the key properties of ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 246.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 54418493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).