Methyl 3-hydroxypyrrolidine-2-carboxylate (HCID 22669281)

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Basic information

Standard SMILES: COC(=O)C1NCCC1O
InChIKey: YIKYEFZGORKEBX-UHFFFAOYSA-N
Molecular formula: C6H11NO3
Average molar mass: 145.16 g/mol

Names & identifiers

Preferred name: Methyl 3-hydroxypyrrolidine-2-carboxylate
IUPAC: methyl 3-hydroxypyrrolidine-2-carboxylate

Names & synonyms

METHYL 3-HYDROXYPYRROLIDINE-2-CARBOXYLATE1378292-24-0METHYL (2R,3S)-3-HYDROXYPYRROLIDINE-2-CARBOXYLATESCHEMBL201157SCHEMBL1569843AKOS022966339PB11090SB10858SB12408SB20827SB20830DB-014766

Show more names

DB-014843DB-334571methyl cis-3-hydroxypyrrolidine-2-carboxylateEN300-192685F51597METHYL3-HYDROXYPYRROLIDINE-2-CARBOXYLATEL-PROLINE, 3-HYDROXY-, METHYL ESTER, (3R)-

Database identifiers

PubChem CID: 22669281

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 137

Related reactions

13 records

New reaction record

HRID 207515As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 311604As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 698241As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 827736As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 950805As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1210384As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1551279As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1552961As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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