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Tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate

HCID 23401992
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(O)C1CCCN1C(=O)OC(C)(C)C
InChIKey
JNNOAQQODYAQBD-UHFFFAOYSA-N
Molecular formula
C11H21NO3
Average molar mass
215.29 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate

Names & synonyms

916145-68-1tert-butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate1-Boc-2-(1-hydroxyethyl)-pyrrolidineMFCD202327891-Boc-2-(1-hydroxyethyl)pyrrolidineSCHEMBL3571595JNNOAQQODYAQBD-UHFFFAOYSA-N1-(1-Boc-2-pyrrolidinyl)ethanolRLB14568AKOS023830131AB91459SY186387
Show more names
DB-088515CS-0079128EN300-76849D74035F610425t-Butyl 2-(1-hydroxyethyl)pyrrolidine-1-carboxylate2-(1-hydroxy-ethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester2-(1-Hydroxyethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
23401992

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
234

Related reactions

5 records
New reaction record
HRID 81137 reaction equation
HRID 81137As reactantuspto-grants-2014_09
HRID 1143211 reaction equation
HRID 1143211As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1852745 reaction equation
HRID 1852745As reactantuspto-grants-2015_02
HRID 2236498 reaction equation
HRID 2236498As reactantuspto-grants-2010_05
HRID 2236500 reaction equation
HRID 2236500As reactantuspto-grants-2010_05

Compound notes

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