Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

HCID 4283280

Notes Reactions

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Basic information

Standard SMILES: O=C(OCc1ccccc1)N1CC(O)CC1CO
InChIKey: WDEQGLDWZMIMJM-UHFFFAOYSA-N
Molecular formula: C13H17NO4
Average molar mass: 251.28 g/mol
Monoisotopic mass: 251.11575802

Names & identifiers

Preferred name: Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC: benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Names & synonyms

Benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylateN-CBZ-cis-4-Hydroxy-L-prolinolN-Carbobenzoxy-trans-4-hydroxy-L-prolinolSCHEMBL8660402WDEQGLDWZMIMJM-UHFFFAOYSA-NAKOS032948021N-(Benzyloxycarbonyl)-3-Hydroxypyrrolidine-5-MethanolN1 -(Benzyloxycarbonyl)-3-Hydroxypyrrolidine-5-Methanol1237770-66-9

Database identifiers

PubChem CID: 4283280

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 70 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 278

Related reactions

7 records

New reaction record

HRID 206680As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 215484As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 440455As productuspto-grants-1996_05

HRID 861663As productuspto-grants-1998_02

HRID 1228688As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2342606As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2349281As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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