(-)-alpha-Amino-3-(chloromethyl)-4-hydroxybenzeneacetic acid

Substructure search Find similar structures

Basic information

Standard SMILES: NC(C(=O)O)c1ccc(O)c(CCl)c1
InChIKey: AZTMVFMYXDDWAT-UHFFFAOYSA-N
Molecular formula: C9H10ClNO3
Average molar mass: 215.63 g/mol
Monoisotopic mass: 215.0349209

Names & identifiers

Preferred name: (-)-alpha-Amino-3-(chloromethyl)-4-hydroxybenzeneacetic acid
IUPAC: 2-amino-2-[3-(chloromethyl)-4-hydroxyphenyl]acetic acid

Names & synonyms

SCHEMBL11401300AZTMVFMYXDDWAT-UHFFFAOYSA-N(-)-alpha-amino-3-(chloromethyl)-4-hydroxybenzeneacetic acid

Database identifiers

PubChem CID: 20296136

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 212

Related reactions

10 records

New reaction record

HRID 145450As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168630As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 225311As reactantuspto-grants-1980_11

HRID 225312As reactantuspto-grants-1980_11

HRID 903825As reactantuspto-grants-1980_10

HRID 903826As reactantuspto-grants-1980_10

HRID 1549779As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1570371As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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