2-Amino-3-(benzyloxy)butanoic acid

HCID 4378738

Notes Reactions

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Basic information

Standard SMILES: CC(OCc1ccccc1)C(N)C(=O)O
InChIKey: ONOURAAVVKGJNM-UHFFFAOYSA-N
Molecular formula: C11H15NO3
Average molar mass: 209.24 g/mol

Names & identifiers

Preferred name: 2-Amino-3-(benzyloxy)butanoic acid
IUPAC: 2-amino-3-phenylmethoxybutanoic acid

Names & synonyms

O-Benzyl-D-threonineL-Thr(Bzl)-OHO3-Benzyl-D-threonine2-AMINO-3-(BENZYLOXY)BUTANOIC ACIDSCHEMBL5622322-amino-3-benzyloxy-butanoic acidFB47590DB-051165

Database identifiers

PubChem CID: 4378738

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 202

Related reactions

4 records

New reaction record

HRID 166743As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 294169As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2138612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2345004As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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