2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate

C10H20N2O4 — CID 170222129

IUPAC2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate
SMILESCC(C)OC(=O)CN(C)CCOC(=O)CN
InChIInChI=1S/C10H20N2O4/c1-8(2)16-10(14)7-12(3)4-5-15-9(13)6-11/h8H,4-7,11H2,1-3H3
InChIKeyWTGTZQDISVOHHQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.63
Rot. Bonds7

About 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate

2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate (PubChem CID 170222129) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate
PubChem CID170222129
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate
SMILESCC(C)OC(=O)CN(C)CCOC(=O)CN
InChIInChI=1S/C10H20N2O4/c1-8(2)16-10(14)7-12(3)4-5-15-9(13)6-11/h8H,4-7,11H2,1-3H3
InChIKeyWTGTZQDISVOHHQ-UHFFFAOYSA-N
XLogP-0.63
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate?
The IUPAC name of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate (CID 170222129) is 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate.
What is the SMILES notation for 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate?
The canonical SMILES for 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate is CC(C)OC(=O)CN(C)CCOC(=O)CN.
What is the InChIKey of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate?
The InChIKey is WTGTZQDISVOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(2)16-10(14)7-12(3)4-5-15-9(13)6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate?
2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate has a molecular weight of 232.28 g/mol, XLogP of -0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethyl 2-aminoacetate is sourced from PubChem (CID 170222129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).