Benzyl 2-[(2-aminoacetyl)amino]acetate

HCID 337781

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: NCC(=O)NCC(=O)OCc1ccccc1
InChIKey: VJQSKANWSASIPI-UHFFFAOYSA-N
Molecular formula: C11H14N2O3
Average molar mass: 222.24 g/mol
Monoisotopic mass: 222.10044231

Names & identifiers

Preferred name: Benzyl 2-[(2-aminoacetyl)amino]acetate
IUPAC: benzyl 2-[(2-aminoacetyl)amino]acetate

Names & synonyms

BENZYL 2-(2-AMINOACETAMIDO)ACETATE1842-55-3benzyl glycylglycinateBenzyl 2-[(2-aminoacetyl)amino]acetateGly-Gly-OCH2PhSivelestat Impurity 20glycylglycine benzyl esterSCHEMBL5538472CHEMBL1622169VJQSKANWSASIPI-UHFFFAOYSA-Nbenzyl-2-(2-aminoacetamido)acetateAKOS001681672

Show more names

2-(glycylamino)acetic acid benzyl ester

Database identifiers

PubChem CID: 337781
ChEMBL: CHEMBL1622169
Nikkaji: J306.627D

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 237

Related reactions

7 records

New reaction record

HRID 165831As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 200219As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 285841As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1229126As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1246732As reactantuspto-grants-2006_10

HRID 1617000As reactantuspto-grants-2014_07

HRID 2347080As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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