tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate

C8H16N2O3 — CID 60681794

IUPACtert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5-10-4-6(9)11/h10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyDOARPSBRJDOVBR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.60
Rot. Bonds4

About tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate

tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate (PubChem CID 60681794) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate
PubChem CID60681794
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNCC(N)=O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5-10-4-6(9)11/h10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyDOARPSBRJDOVBR-UHFFFAOYSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate (CID 60681794) is tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate is CC(C)(C)OC(=O)CNCC(N)=O.
What is the InChIKey of tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate?
The InChIKey is DOARPSBRJDOVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)13-7(12)5-10-4-6(9)11/h10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate?
tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate has a molecular weight of 188.23 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-2-oxoethyl)amino]acetate is sourced from PubChem (CID 60681794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).