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2-[(2-{[(Tert-butoxy)carbonyl]amino}ethyl)(methyl)amino]acetic acid

HCID 22270159
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(CCNC(=O)OC(C)(C)C)CC(=O)O
InChIKey
VGGBICGIQJVBLX-UHFFFAOYSA-N
Molecular formula
C10H20N2O4
Average molar mass
232.28 g/mol

Names & identifiers

Preferred name
2-[(2-{[(Tert-butoxy)carbonyl]amino}ethyl)(methyl)amino]acetic acid
IUPAC
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid

Names & synonyms

867064-19-52-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)(methyl)amino]acetic acidSCHEMBL1404486VGGBICGIQJVBLX-UHFFFAOYSA-NMFCD29053017SY574811EN300-1589516{[2-(tert-butoxycarbonylamino)-ethyl]-methyl-amino}-acetic acid2-((2-Amino-3-(tert-butoxy)-3-oxopropyl)(methyl)amino)acetic Acid

Database identifiers

PubChem CID
22270159

Properties

Computed structural properties

XLogP
-1.7
Topological polar surface area
78.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
16
Formal charge
0
Complexity
248

Related reactions

3 records
New reaction record
HRID 604329 reaction equation
HRID 604329As productuspto-grants-2011_03
HRID 910001 reaction equation
HRID 910001As productuspto-grants-2011_09
HRID 1230625 reaction equation
HRID 1230625As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes