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N-Fmoc-beta-alanine beta-alanine ethyl ester

HCID 86608463
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCN.O=C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
MXHGBKWXYNBHOG-UHFFFAOYSA-N
Molecular formula
C23H28N2O6
Average molar mass
428.5 g/mol

Names & identifiers

Preferred name
N-Fmoc-beta-alanine beta-alanine ethyl ester
IUPAC
ethyl 3-aminopropanoate;3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Names & synonyms

MXHGBKWXYNBHOG-UHFFFAOYSA-NN-Fmoc-beta-alanine beta-alanine ethyl ester

Database identifiers

PubChem CID
86608463

Properties

Computed structural properties

Topological polar surface area
128 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
31
Formal charge
0
Complexity
490

Related reactions

4 records
New reaction record
HRID 219308 reaction equation
HRID 219308As productuspto-grants-2012_06
HRID 552021 reaction equation
HRID 552021As productuspto-grants-2011_05
HRID 2109820 reaction equation
HRID 2109820As productuspto-grants-2009_04
HRID 2421788 reaction equation
HRID 2421788As productuspto-grants-2011_06

Compound notes

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